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Compound 1
Drug synonym:Not Available
Molecular Weight:1812.4463
Molecular Formula:C120H142N6O9
SMILES:O=C1NCC2=CC=C(OCCOCCOCCOCCOC3=CC=C(CNC(=O)C4=CC=CC1=C4)C=C3)C=C2.CC(C)(C)C1=CC=C(C=C1)C(C1=CC=C(OCCCNCC2=CC=C(CC3=CN(CCCOC4=CC=C(C=C4)C(C4=CC=C(C=C4)C(C)(C)C)(C4=CC=C(C=C4)C(C)(C)C)C4=CC=C(C=C4)C(C)(C)C)N=N3)C=C2)C=C1)(C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C
InChI:1S/C90H108N4O2.C30H34N2O7/c1-83(2,3)66-25-37-72(38-26-66)89(73-39-27-67(28-40-73)84(4,5)6,74-41-29-68(30-42-74)85(7,8)9)78-49-53-81(54-50-78)95-59-19-57-91-62-65-23-21-64(22-24-65)61-80-63-94(93-92-80)58-20-60-96-82-55-51-79(52-56-82)90(75-43-31-69(32-44-75)86(10,11)12,76-45-33-70(34-46-76)87(13,14)15)77-47-35-71(36-48-77)88(16,17)18;33-29-25-2-1-3-26(20-25)30(34)32-22-24-6-10-28(11-7-24)39-19-17-37-15-13-35-12-14-36-16-18-38-27-8-4-23(5-9-27)21-31-29/h21-56,63,91H,19-20,57-62H2,1-18H3;1-11,20H,12-19,21-22H2,(H,31,33)(H,32,34)
InChIKey:XVKDXQQAMKTMIK-UHFFFAOYSA-N
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Compound 1+
Drug synonym:Not Available
Molecular Weight:1812.4463
Molecular Formula:C120H142N6O9
SMILES:O=C1NCC2=CC=C(OCCOCCOCCOCCOC3=CC=C(CNC(=O)C4=CC=CC1=C4)C=C3)C=C2.CC(C)(C)C1=CC=C(C=C1)C(C1=CC=C(OCCCNCC2=CC=C(CC3=CN(CCCOC4=CC=C(C=C4)C(C4=CC=C(C=C4)C(C)(C)C)(C4=CC=C(C=C4)C(C)(C)C)C4=CC=C(C=C4)C(C)(C)C)N=N3)C=C2)C=C1)(C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C
InChI:1S/C90H108N4O2.C30H34N2O7/c1-83(2,3)66-25-37-72(38-26-66)89(73-39-27-67(28-40-73)84(4,5)6,74-41-29-68(30-42-74)85(7,8)9)78-49-53-81(54-50-78)95-59-19-57-91-62-65-23-21-64(22-24-65)61-80-63-94(93-92-80)58-20-60-96-82-55-51-79(52-56-82)90(75-43-31-69(32-44-75)86(10,11)12,76-45-33-70(34-46-76)87(13,14)15)77-47-35-71(36-48-77)88(16,17)18;33-29-25-2-1-3-26(20-25)30(34)32-22-24-6-10-28(11-7-24)39-19-17-37-15-13-35-12-14-36-16-18-38-27-8-4-23(5-9-27)21-31-29/h21-56,63,91H,19-20,57-62H2,1-18H3;1-11,20H,12-19,21-22H2,(H,31,33)(H,32,34)
InChIKey:XVKDXQQAMKTMIK-UHFFFAOYSA-N
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Compound 1.Cl[BOND]
Drug synonym:Not Available
Molecular Weight:1847.899
Molecular Formula:C120H143ClN6O9
SMILES:[Cl-].O=C1NCC2=CC=C(OCCOCCOCCOCCOC3=CC=C(CNC(=O)C4=CC=CC1=C4)C=C3)C=C2.CC(C)(C)C1=CC=C(C=C1)C(C1=CC=C(OCCCNCC2=CC=C(CC3=CN(CCCOC4=CC=C(C=C4)C(C4=CC=C(C=C4)C(C)(C)C)(C4=CC=C(C=C4)C(C)(C)C)C4=CC=C(C=C4)C(C)(C)C)N=N3)C=C2)C=C1)(C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C
InChI:1S/C90H108N4O2.C30H34N2O7.ClH/c1-83(2,3)66-25-37-72(38-26-66)89(73-39-27-67(28-40-73)84(4,5)6,74-41-29-68(30-42-74)85(7,8)9)78-49-53-81(54-50-78)95-59-19-57-91-62-65-23-21-64(22-24-65)61-80-63-94(93-92-80)58-20-60-96-82-55-51-79(52-56-82)90(75-43-31-69(32-44-75)86(10,11)12,76-45-33-70(34-46-76)87(13,14)15)77-47-35-71(36-48-77)88(16,17)18;33-29-25-2-1-3-26(20-25)30(34)32-22-24-6-10-28(11-7-24)39-19-17-37-15-13-35-12-14-36-16-18-38-27-8-4-23(5-9-27)21-31-29;/h21-56,63,91H,19-20,57-62H2,1-18H3;1-11,20H,12-19,21-22H2,(H,31,33)(H,32,34);1H/p-1
InChIKey:WEILPXDVLLDAKM-UHFFFAOYSA-M
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Compound 2
Drug synonym:Not Available
Molecular Weight:797.0069
Molecular Formula:C48H52N12
SMILES:CC(C)(C)C1=CC2=CC(=C1)N1C=C(N=N1)C1=CC(=CC(=C1)C1=CN(N=N1)C1=CC(=CC(=C1)N1C=C(N=N1)C1=CC(=CC(=C1)C1=CN2N=N1)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI:1S/C48H52N12/c1-45(2,3)33-15-29-13-30(16-33)42-26-58(54-50-42)38-20-36(48(10,11)12)22-40(24-38)60-28-44(52-56-60)32-14-31(17-34(18-32)46(4,5)6)43-27-59(55-51-43)39-21-35(47(7,8)9)19-37(23-39)57-25-41(29)49-53-57/h13-28H,1-12H3
InChIKey:AEKANQJBOUNVQE-UHFFFAOYSA-N
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Compound 3
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound 2.Cl[BOND]
Drug synonym:Not Available
Molecular Weight:832.46
Molecular Formula:C48H53ClN12
SMILES:[Cl-].CC(C)(C)C1=CC2=CC(=C1)N1C=C(N=N1)C1=CC(=CC(=C1)C1=CN(N=N1)C1=CC(=CC(=C1)N1C=C(N=N1)C1=CC(=CC(=C1)C1=CN2N=N1)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI:1S/C48H52N12.ClH/c1-45(2,3)33-15-29-13-30(16-33)42-26-58(54-50-42)38-20-36(48(10,11)12)22-40(24-38)60-28-44(52-56-60)32-14-31(17-34(18-32)46(4,5)6)43-27-59(55-51-43)39-21-35(47(7,8)9)19-37(23-39)57-25-41(29)49-53-57;/h13-28H,1-12H3;1H/p-1
InChIKey:QVUGYHMYHGSHOD-UHFFFAOYSA-M
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Compound 4
Drug synonym:Not Available
Molecular Weight:325.4114
Molecular Formula:C17H23N7
SMILES:CCCCN1C=C(N=N1)C1=CC=CC(=N1)C1=CN(CCCC)N=N1
InChI:1S/C17H23N7/c1-3-5-10-23-12-16(19-21-23)14-8-7-9-15(18-14)17-13-24(22-20-17)11-6-4-2/h7-9,12-13H,3-6,10-11H2,1-2H3
InChIKey:GAIOUKHWOJVARF-UHFFFAOYSA-N
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Compound 4a
Drug synonym:Not Available
Molecular Weight:393.4439
Molecular Formula:C23H19N7
SMILES:C(N1C=C(N=N1)C1=CC=CC(=N1)C1=CN(CC2=CC=CC=C2)N=N1)C1=CC=CC=C1
InChI:1S/C23H19N7/c1-3-8-18(9-4-1)14-29-16-22(25-27-29)20-12-7-13-21(24-20)23-17-30(28-26-23)15-19-10-5-2-6-11-19/h1-13,16-17H,14-15H2
InChIKey:NSJFFRPMIQCQHC-UHFFFAOYSA-N
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Compound 4b4+
Drug synonym:Not Available
Molecular Weight:1786.62
Molecular Formula:C92H76N28Pd2
SMILES:[Pd++].[Pd++].C(N1C=C(N=N1)C1=CC=CC(=N1)C1=CN(CC2=CC=CC=C2)N=N1)C1=CC=CC=C1.C(N1C=C(N=N1)C1=CC=CC(=N1)C1=CN(CC2=CC=CC=C2)N=N1)C1=CC=CC=C1.C(N1C=C(N=N1)C1=CC=CC(=N1)C1=CN(CC2=CC=CC=C2)N=N1)C1=CC=CC=C1.C(N1C=C(N=N1)C1=CC=CC(=N1)C1=CN(CC2=CC=CC=C2)N=N1)C1=CC=CC=C1
InChI:1S/4C23H19N7.2Pd/c4*1-3-8-18(9-4-1)14-29-16-22(25-27-29)20-12-7-13-21(24-20)23-17-30(28-26-23)15-19-10-5-2-6-11-19;;/h4*1-13,16-17H,14-15H2;;/q;;;;2*+2
InChIKey:JSNWNMDDRGZQPR-UHFFFAOYSA-N
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Compound 5
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound 6+
Drug synonym:Not Available
Molecular Weight:593.336
Molecular Formula:C27H25Br2N6
SMILES:CC1=CC(Br)=CC(C)=C1N1C=C(N=N1)C1=CC=CC(=C1)C1=CN(N=[N+]1C)C1=C(C)C=C(Br)C=C1C
InChI:1S/C27H25Br2N6/c1-16-9-22(28)10-17(2)26(16)34-14-24(30-31-34)20-7-6-8-21(13-20)25-15-35(32-33(25)5)27-18(3)11-23(29)12-19(27)4/h6-15H,1-5H3/q+1
InChIKey:PQYFMHZPCGNRIC-UHFFFAOYSA-N
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Compound 7(2+)
Drug synonym:Not Available
Molecular Weight:422.5248
Molecular Formula:C26H26N6
SMILES:CC1=CC=C(C=C1)N1C=C(C2=CC(=CC=C2)C2=CN(N=[N+]2C)C2=CC=C(C)C=C2)[N+](C)=N1
InChI:1S/C26H26N6/c1-19-8-12-23(13-9-19)31-17-25(29(3)27-31)21-6-5-7-22(16-21)26-18-32(28-30(26)4)24-14-10-20(2)11-15-24/h5-18H,1-4H3/q+2
InChIKey:RDUOISCPZXTHAI-UHFFFAOYSA-N
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Compound 8(2+)
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound 8(4+)
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound 10(6+)
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound 9(2+)
Drug synonym:Not Available
Molecular Weight:2691.2776
Molecular Formula:C162H188N10O26
SMILES:O=C(CCCC1=CC2=CC=C3C=CC=C4C=CC(=C1)C2C34)OCC1=CC2=C(OCCOCCOCCOC3=C(OCCOCCOCCO2)C=CC=C3)C=C1.O=C(CCCC1=CC2=CC=C3C=CC=C4C=CC(=C1)C2C34)OCC1=CC2=C(OCCOCCOCCOC3=C(OCCOCCOCCO2)C=CC=C3)C=C1.C[N+]1=NN(CC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C=C1COC1=CC=C(CNCCCN2C(=O)C3=CC=C4C(=O)N(CCCNCC5=CC=C(OCC6=CN(CC7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)N=[N+]6C)C=C5)C(=O)C5=C4C3=C(C=C5)C2=O)C=C1
InChI:1S/C72H88N10O6.2C45H50O10/c1-69(2,3)51-33-49(34-52(37-51)70(4,5)6)41-79-43-55(77(13)75-79)45-87-57-21-17-47(18-22-57)39-73-29-15-31-81-65(83)59-25-27-61-64-62(28-26-60(63(59)64)66(81)84)68(86)82(67(61)85)32-16-30-74-40-48-19-23-58(24-20-48)88-46-56-44-80(76-78(56)14)42-50-35-53(71(7,8)9)38-54(36-50)72(10,11)12;2*46-43(10-3-5-33-29-37-14-12-35-6-4-7-36-13-15-38(30-33)45(37)44(35)36)55-32-34-11-16-41-42(31-34)54-28-24-50-20-19-48-22-26-52-40-9-2-1-8-39(40)51-25-21-47-17-18-49-23-27-53-41/h17-28,33-38,43-44,73-74H,15-16,29-32,39-42,45-46H2,1-14H3;2*1-2,4,6-9,11-16,29-31,44-45H,3,5,10,17-28,32H2/q+2;;
InChIKey:XHVPTDMJEXYRBH-UHFFFAOYSA-N
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Compound 9(4+)
Drug synonym:Not Available
Molecular Weight:2691.2776
Molecular Formula:C162H188N10O26
SMILES:O=C(CCCC1=CC2=CC=C3C=CC=C4C=CC(=C1)C2C34)OCC1=CC2=C(OCCOCCOCCOC3=C(OCCOCCOCCO2)C=CC=C3)C=C1.O=C(CCCC1=CC2=CC=C3C=CC=C4C=CC(=C1)C2C34)OCC1=CC2=C(OCCOCCOCCOC3=C(OCCOCCOCCO2)C=CC=C3)C=C1.C[N+]1=NN(CC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C=C1COC1=CC=C(CNCCCN2C(=O)C3=CC=C4C(=O)N(CCCNCC5=CC=C(OCC6=CN(CC7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)N=[N+]6C)C=C5)C(=O)C5=C4C3=C(C=C5)C2=O)C=C1
InChI:1S/C72H88N10O6.2C45H50O10/c1-69(2,3)51-33-49(34-52(37-51)70(4,5)6)41-79-43-55(77(13)75-79)45-87-57-21-17-47(18-22-57)39-73-29-15-31-81-65(83)59-25-27-61-64-62(28-26-60(63(59)64)66(81)84)68(86)82(67(61)85)32-16-30-74-40-48-19-23-58(24-20-48)88-46-56-44-80(76-78(56)14)42-50-35-53(71(7,8)9)38-54(36-50)72(10,11)12;2*46-43(10-3-5-33-29-37-14-12-35-6-4-7-36-13-15-38(30-33)45(37)44(35)36)55-32-34-11-16-41-42(31-34)54-28-24-50-20-19-48-22-26-52-40-9-2-1-8-39(40)51-25-21-47-17-18-49-23-27-53-41/h17-28,33-38,43-44,73-74H,15-16,29-32,39-42,45-46H2,1-14H3;2*1-2,4,6-9,11-16,29-31,44-45H,3,5,10,17-28,32H2/q+2;;
InChIKey:XHVPTDMJEXYRBH-UHFFFAOYSA-N
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Compound 10(4+)
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound 11
Drug synonym:Not Available
Molecular Weight:2912.554
Molecular Formula:C180H194N12O10S3Zn2
SMILES:CC(C)(C)C1=CC2=CC(=C1)C(=O)NCC1=CC=C(OC(=O)CSCC3=C(CS(=O)(=O)C3)CSCC(=O)OC3=CC=C(CNC2=O)C=C3)C=C1.CC(C)(C)C1=CC(=CC(=C1)C1=C2\C=CC(=N2)\C(=C2\C=C/C3=C(/C4=N/C(/C=C4)=C(\C4=CC=C\1N4[Zn]N2\3)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)\C1=CC=C(NC(=O)C2=CC(=CC=C2)C(=O)NC2=CC=C(C=C2)C2=C3\C=CC(=N3)\C(=C3\C=C/C4=C(/C5=N/C(/C=C5)=C(\C5=CC=C\2N5[Zn]N3\4)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)\C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C=C1)C(C)(C)C
InChI:1S/C144H158N10O2.C36H38N2O8S3.2Zn/c1-133(2,3)93-65-87(66-94(77-93)134(4,5)6)125-111-52-48-107(147-111)123(108-49-53-112(148-108)126(88-67-95(135(7,8)9)78-96(68-88)136(10,11)12)116-57-61-120(152-116)129(119-60-56-115(125)151-119)91-73-101(141(25,26)27)81-102(74-91)142(28,29)30)83-40-44-105(45-41-83)145-131(155)85-38-37-39-86(64-85)132(156)146-106-46-42-84(43-47-106)124-109-50-54-113(149-109)127(89-69-97(137(13,14)15)79-98(70-89)138(16,17)18)117-58-62-121(153-117)130(92-75-103(143(31,32)33)82-104(76-92)144(34,35)36)122-63-59-118(154-122)128(114-55-51-110(124)150-114)90-71-99(139(19,20)21)80-100(72-90)140(22,23)24;1-36(2,3)29-13-25-12-26(14-29)35(42)38-16-24-6-10-31(11-7-24)46-33(40)20-48-18-28-22-49(43,44)21-27(28)17-47-19-32(39)45-30-8-4-23(5-9-30)15-37-34(25)41;;/h37-82H,1-36H3,(H4-2,145,146,147,148,149,150,151,152,153,154,155,156);4-14H,15-22H2,1-3H3,(H,37,41)(H,38,42);;/q-2;;2*+2/p-2/b123-107-,123-108-,124-109-,124-110-,125-111-,125-115-,126-112-,126-116-,127-113-,127-117-,128-114-,128-118-,129-119-,129-120-,130-121-,130-122-;;;
InChIKey:MWZQNCLZXHXOSK-VWUYFVMXSA-L
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Compound 12
Drug synonym:Not Available
Molecular Weight:3569.132
Molecular Formula:C240H194N12O8S2Zn2
SMILES:CC(C)(C)C1=CC2=CC(=C1)C(=O)NCC1=CC=C(OC(=O)CSCC3=C(CC45C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%20=C(C6=C9C%11=C%20C%18=C%12%15)C4=C4C%19=C6C%17=C9C%16=C%11C%14=C%12C%14=C%15C(C%10=C%13%14)=C8C8=C7C7=C%10C%13=C8C%15=C8C%12=C%11C%11=C9C9=C6C4=C(C%10=C9C%11=C%138)C57C3)CSCC(=O)OC3=CC=C(CNC2=O)C=C3)C=C1.CC(C)(C)C1=CC(=CC(=C1)C1=C2\C=CC(=N2)\C(=C2\C=C/C3=C(/C4=N/C(/C=C4)=C(\C4=CC=C\1N4[Zn]N2\3)C1=CC=C(NC(=O)C2=CC=CC(=C2)C(=O)NC2=CC=C(C=C2)C2=C3\C=C/C4=C(/C5=N/C(/C=C5)=C(\C5=CC=C(N5[Zn]N3\4)\C(=C3\C=CC\2=N3)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C=C1)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)\C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI:1S/C144H158N10O2.C96H38N2O6S2.2Zn/c1-133(2,3)93-65-87(66-94(77-93)134(4,5)6)125-111-52-48-107(147-111)123(108-49-53-112(148-108)126(88-67-95(135(7,8)9)78-96(68-88)136(10,11)12)116-57-61-120(152-116)129(119-60-56-115(125)151-119)91-73-101(141(25,26)27)81-102(74-91)142(28,29)30)83-40-44-105(45-41-83)145-131(155)85-38-37-39-86(64-85)132(156)146-106-46-42-84(43-47-106)124-109-50-54-113(149-109)127(89-69-97(137(13,14)15)79-98(70-89)138(16,17)18)117-58-62-121(153-117)130(92-75-103(143(31,32)33)82-104(76-92)144(34,35)36)122-63-59-118(154-122)128(114-55-51-110(124)150-114)90-71-99(139(19,20)21)80-100(72-90)140(22,23)24;1-94(2,3)29-13-25-12-26(14-29)93(102)98-18-24-6-10-31(11-7-24)104-33(100)22-106-20-28-16-96-90-82-74-64-54-46-38-35-34-36-40-42(38)50-56-48(40)58-52-44(36)45-37(34)41-43-39(35)47(46)55-61-51(43)57-49(41)59-53(45)63-62(52)72-66(58)76-70(56)78(68(74)60(50)54)86(90)84(76)88-80(72)81-73(63)67(59)77-71(57)79-69(61)75(65(55)64)83(82)91(96)87(79)85(77)89(81)95(88,96)15-27(28)19-105-21-32(99)103-30-8-4-23(5-9-30)17-97-92(25)101;;/h37-82H,1-36H3,(H4-2,145,146,147,148,149,150,151,152,153,154,155,156);4-14H,15-22H2,1-3H3,(H,97,101)(H,98,102);;/q-2;;2*+2/p-2/b123-107-,123-108-,124-109-,124-110-,125-111-,125-115-,126-112-,126-116-,127-113-,127-117-,128-114-,128-118-,129-119-,129-120-,130-121-,130-122-;;;
InChIKey:HPTPJRQJWFNHNH-VWUYFVMXSA-L
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Compound 13+
Drug synonym:Not Available
Molecular Weight:899.076
Molecular Formula:C50H59NO12S
SMILES:CC1=CC(C[NH2+]CC2=CC=C(COC(=O)C3=CC4=C(CS(=O)OC4)C=C3)C=C2)=CC(C)=C1.C1COCCOC2=C(OCCOCCOCCOC3=C(OCCO1)C=CC=C3)C=CC=C2
InChI:1S/C26H27NO4S.C24H32O8/c1-18-9-19(2)11-22(10-18)14-27-13-20-3-5-21(6-4-20)15-30-26(28)23-7-8-24-17-32(29)31-16-25(24)12-23;1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22/h3-12,27H,13-17H2,1-2H3;1-8H,9-20H2/p+1
InChIKey:RVFWZQHEKHJRDN-UHFFFAOYSA-O
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Compound 14+
Drug synonym:Not Available
Molecular Weight:1557.67
Molecular Formula:C110H61NO10
SMILES:C1COCCOC2=C(OCCOCCOCCOC3=C(OCCO1)C=CC=C3)C=CC=C2.CC1=CC(C[NH2+]CC2=CC=C(COC(=O)C3=CC4CC56C7=C8C9=C%10C%11=C%12C%13=C%14C%15=C%16C%17=C%18C%19=C%20C%21=C%22C%23=C%20C%20=C%18C%18=C%24C%17=C%14C%11=C%24C%11=C%14C%18=C%20C%17=C%23C(=C%18C%22=C%20C%22=C%21C(=C%16%19)C%16=C%22C%19=C(C%13=C%15%16)C(=C9%12)C9=C8C5=C%18C%20=C%199)C6(CC4C=C3)C%17=C%14C7=C%10%11)C=C2)=CC(C)=C1
InChI:1S/C86H29NO2.C24H32O8/c1-18-9-19(2)11-22(10-18)16-87-15-20-3-5-21(6-4-20)17-89-84(88)23-7-8-24-13-85-80-72-64-54-44-36-28-26-27-30-34-32(28)40-48-42(34)52-46-38(30)39-31(27)35-33-29(26)37(36)45-51-41(33)49-43(35)53-47(39)57-56(46)66-60(52)70-62(48)68(58(64)50(40)44)76(80)78(70)82-74(66)75-67(57)61(53)71-63(49)69-59(51)65(55(45)54)73(72)81(85)77(69)79(71)83(75)86(82,85)14-25(24)12-23;1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22/h3-12,24-25,87H,13-17H2,1-2H3;1-8H,9-20H2/p+1
InChIKey:QGLINUZXBOPGGM-UHFFFAOYSA-O
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Compound 13a+
Drug synonym:Not Available
Molecular Weight:835.0121
Molecular Formula:C50H59NO10
SMILES:CC1=CC(C[NH2+]CC2=CC=C(COC(=O)C3=CC(=C)C(=C)C=C3)C=C2)=CC(C)=C1.C1COCCOC2=C(OCCOCCOCCOC3=C(OCCO1)C=CC=C3)C=CC=C2
InChI:1S/C26H27NO2.C24H32O8/c1-18-11-19(2)13-24(12-18)16-27-15-22-6-8-23(9-7-22)17-29-26(28)25-10-5-20(3)21(4)14-25;1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22/h5-14,27H,3-4,15-17H2,1-2H3;1-8H,9-20H2/p+1
InChIKey:PZFLILGNYFHDMQ-UHFFFAOYSA-O
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Compound 15
Drug synonym:Not Available
Molecular Weight:933.2246
Molecular Formula:C56H76N4O8
SMILES:CCCCOC.[H][C@@]1(C[C@@H]2C[C@H]1C=C2)C(=O)N1CCN(CCCOC)C1=O.C1CCCCCOC2=CC=C(COCC3=NC(=CC=C3)C3=NC(COCC4=CC=C(OCCCC1)C=C4)=CC=C3)C=C2
InChI:1S/C36H42N2O4.C15H22N2O3.C5H12O/c1-2-4-6-8-24-42-34-21-17-30(18-22-34)26-40-28-32-12-10-14-36(38-32)35-13-9-11-31(37-35)27-39-25-29-15-19-33(20-16-29)41-23-7-5-3-1;1-20-8-2-5-16-6-7-17(15(16)19)14(18)13-10-11-3-4-12(13)9-11;1-3-4-5-6-2/h9-22H,1-8,23-28H2;3-4,11-13H,2,5-10H2,1H3;3-5H2,1-2H3/t;11-,12+,13-;/m.0./s1
InChIKey:AYLQCLWSJSARHQ-SDYRXFTASA-N
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Compound 16+
Drug synonym:Not Available
Molecular Weight:510.6037
Molecular Formula:C24H39N5O7
SMILES:C([NH2+]CC1=CN=NC=C1)C1=CC=NN=C1.C1COCCOCCOCCOCCOCCOCCO1
InChI:1S/C14H28O7.C10H11N5/c1-2-16-5-6-18-9-10-20-13-14-21-12-11-19-8-7-17-4-3-15-1;1-3-12-14-7-9(1)5-11-6-10-2-4-13-15-8-10/h1-14H2;1-4,7-8,11H,5-6H2/p+1
InChIKey:DSODLWPBULUBAG-UHFFFAOYSA-O
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Compound 17+
Drug synonym:Not Available
Molecular Weight:1079.3091
Molecular Formula:C72H63N5O5
SMILES:C1COCC2=CC=C(OCC3=CC=C(COC4=CC=C(COCCO1)C=C4)C=C3)C=C2.C([NH2+]CC1=CC=C(C=C1)C1=C(N=NC(=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC(=NN=C1C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C46H35N5.C26H28O5/c1-5-13-37(14-6-1)43-29-41(45(50-48-43)39-17-9-3-10-18-39)35-25-21-33(22-26-35)31-47-32-34-23-27-36(28-24-34)42-30-44(38-15-7-2-8-16-38)49-51-46(42)40-19-11-4-12-20-40;1-2-24-4-3-23(1)19-30-25-9-5-21(6-10-25)17-28-15-13-27-14-16-29-18-22-7-11-26(12-8-22)31-20-24/h1-30,47H,31-32H2;1-12H,13-20H2/p+1
InChIKey:PFRIGRLICSEIQR-UHFFFAOYSA-O
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Compound 19+
Drug synonym:Not Available
Molecular Weight:1814.305
Molecular Formula:C113H121NO16S2
SMILES:CC1=CC=C(C=C1)C(=O)OCC1CSCC(=O)OCCOCCOCCOC2=CC3=CC=CC=C3C=C2OCCOCCOCCOC(=O)CS1.C(CCCOC1=CC=C(C=C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)CCOC1=CC=C(C[NH2+]CC2=CC=C(OCCCCCCOC3=CC=C(C=C3)C(C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)C=C2)C=C1
InChI:1S/C76H75NO4.C37H46O12S2/c1(3-25-57-80-73-51-43-69(44-52-73)75(63-27-11-5-12-28-63,64-29-13-6-14-30-64)65-31-15-7-16-32-65)23-55-78-71-47-39-61(40-48-71)59-77-60-62-41-49-72(50-42-62)79-56-24-2-4-26-58-81-74-53-45-70(46-54-74)76(66-33-17-8-18-34-66,67-35-19-9-20-36-67)68-37-21-10-22-38-68;1-28-6-8-29(9-7-28)37(40)49-24-32-25-50-26-35(38)47-20-16-43-12-10-41-14-18-45-33-22-30-4-2-3-5-31(30)23-34(33)46-19-15-42-11-13-44-17-21-48-36(39)27-51-32/h5-22,27-54,77H,1-4,23-26,55-60H2;2-9,22-23,32H,10-21,24-27H2,1H3/p+1
InChIKey:BESHRYVMHZGROI-UHFFFAOYSA-O
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Compound 20+
Drug synonym:Not Available
Molecular Weight:2032.767
Molecular Formula:C128H159NO16S2
SMILES:C1COCCOC2=C(OCCOCCOCCOC3=C(OCCO1)C=CC=C3)C=CC=C2.CC(C)(C)C1=CC=C(C=C1)C(C1=CC=C(OCCCSCC(=O)OCCCOC2=CC=C(C[NH2+]CC3=CC=C(OCCCOC(=O)CSCCCOC4=CC=C(C=C4)C(C4=CC=C(C=C4)C(C)(C)C)(C4=CC=C(C=C4)C(C)(C)C)C4=CC=C(C=C4)C(C)(C)C)C=C3)C=C2)C=C1)(C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C
InChI:1S/C104H127NO8S2.C24H32O8/c1-97(2,3)77-27-39-83(40-28-77)103(84-41-29-78(30-42-84)98(4,5)6,85-43-31-79(32-44-85)99(7,8)9)89-51-59-93(60-52-89)110-67-21-69-114-73-95(106)112-65-19-63-108-91-55-23-75(24-56-91)71-105-72-76-25-57-92(58-26-76)109-64-20-66-113-96(107)74-115-70-22-68-111-94-61-53-90(54-62-94)104(86-45-33-80(34-46-86)100(10,11)12,87-47-35-81(36-48-87)101(13,14)15)88-49-37-82(38-50-88)102(16,17)18;1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22/h23-62,105H,19-22,63-74H2,1-18H3;1-8H,9-20H2/p+1
InChIKey:UXAYNZYMQOSALX-UHFFFAOYSA-O
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Compound 21+
Drug synonym:Not Available
Molecular Weight:908.0628
Molecular Formula:C52H62N2O12
SMILES:C1COCCOC2=C(OCCOCCOCCOC3=C(OCCO1)C=CC=C3)C=CC=C2.COC1=CC=CC(OC)=C1C1=NOC(COC2=CC=C(C[NH2+]CC3=CC(C)=CC(C)=C3)C=C2)=C1
InChI:1S/C28H30N2O4.C24H32O8/c1-19-12-20(2)14-22(13-19)17-29-16-21-8-10-23(11-9-21)33-18-24-15-25(30-34-24)28-26(31-3)6-5-7-27(28)32-4;1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22/h5-15,29H,16-18H2,1-4H3;1-8H,9-20H2/p+1
InChIKey:SZRCOCPDWYDHME-UHFFFAOYSA-O
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