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Compound 1
Drug synonym:Not Available
Molecular Weight:2541.8235
Molecular Formula:C170H250N4O12
SMILES:CC(C)CCCOC1=C2CC3=CC(=CC(CC4=CC(=CC(CC5=CC(=CC(CC6=C(OCCCC(C)C)C(CC1=CC(NC(=O)NC1=CC=C(NC(=O)NC7=CC8=C(OCCCC(C)C)C(CC9=C(OCCCC(C)C)C(CC%10=C(OCCCC(C)C)C(CC%11=C(OCCCC(C)C)C(CC%12=CC(=CC(C8)=C%12OCCCC(C)C)C(C)(C)C)=CC(=C%11)C(C)(C)C)=CC(=C%10)C(C)(C)C)=CC(=C9)C(C)(C)C)=C7)C=C1)=C2)=CC(=C6)C(C)(C)C)=C5OCCCC(C)C)C(C)(C)C)=C4OCCCC(C)C)C(C)(C)C)=C3OCCCC(C)C)C(C)(C)C
InChI:1S/C170H250N4O12/c1-109(2)55-45-69-177-151-119-79-120-90-140(164(24,25)26)94-124(152(120)178-70-46-56-110(3)4)82-128-98-144(168(36,37)38)102-132(156(128)182-74-50-60-114(11)12)86-136-106-149(105-135(159(136)185-77-53-63-117(17)18)85-131-101-143(167(33,34)35)97-127(155(131)181-73-49-59-113(9)10)81-123(151)93-139(89-119)163(21,22)23)173-161(175)171-147-65-67-148(68-66-147)172-162(176)174-150-107-137-87-133-103-145(169(39,40)41)99-129(157(133)183-75-51-61-115(13)14)83-125-95-141(165(27,28)29)91-121(153(125)179-71-47-57-111(5)6)80-122-92-142(166(30,31)32)96-126(154(122)180-72-48-58-112(7)8)84-130-100-146(170(42,43)44)104-134(158(130)184-76-52-62-116(15)16)88-138(108-150)160(137)186-78-54-64-118(19)20/h65-68,89-118H,45-64,69-88H2,1-44H3,(H2,171,173,175)(H2,172,174,176)
InChIKey:CWQCDJVPJBHOTA-UHFFFAOYSA-N
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Compound 1a
Drug synonym:Not Available
Molecular Weight:2660.817
Molecular Formula:(CH2)nC170H256Cl2N6O12
SMILES:Not Available
InChI:1S/C170H250N4O12.CH6N2.2ClH/c1-109(2)55-45-69-177-151-119-79-120-90-140(164(24,25)26)94-124(152(120)178-70-46-56-110(3)4)82-128-98-144(168(36,37)38)102-132(156(128)182-74-50-60-114(11)12)86-136-106-149(105-135(159(136)185-77-53-63-117(17)18)85-131-101-143(167(33,34)35)97-127(155(131)181-73-49-59-113(9)10)81-123(151)93-139(89-119)163(21,22)23)173-161(175)171-147-65-67-148(68-66-147)172-162(176)174-150-107-137-87-133-103-145(169(39,40)41)99-129(157(133)183-75-51-61-115(13)14)83-125-95-141(165(27,28)29)91-121(153(125)179-71-47-57-111(5)6)80-122-92-142(166(30,31)32)96-126(154(122)180-72-48-58-112(7)8)84-130-100-146(170(42,43)44)104-134(158(130)184-76-52-62-116(15)16)88-138(108-150)160(137)186-78-54-64-118(19)20;2-1-3;;/h65-68,89-118H,45-64,69-88H2,1-44H3,(H2,171,173,175)(H2,172,174,176);1-3H2;2*1H
InChIKey:IETLKLKSTYJHQH-UHFFFAOYSA-N
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Compound 2
Drug synonym:Not Available
Molecular Weight:341.279
Molecular Formula:C16H22Cl2N4
SMILES:[Cl-].[Cl-].[NH3+]CCC1=CC=C(C=C1)\N=N\C1=CC=C(CC[NH3+])C=C1
InChI:1S/C16H20N4.2ClH/c17-11-9-13-1-5-15(6-2-13)19-20-16-7-3-14(4-8-16)10-12-18;;/h1-8H,9-12,17-18H2;2*1H/b20-19+;;
InChIKey:BXGOHUNMBQXKDV-LLIZZRELSA-N
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