4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-[5-(4,4-dimethylpentanoyl)-1-methylpyrrol-3-yl]-2-pyridinyl]-1-methylimidazole-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[4-[2-(4,4-dimethylpentanoyl)-1,3-thiazol-4-yl]phenyl]-1-methylimidazole-2-carboxamide;5-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-(2,2-dimethylpropylcarbamoyl)-1-methylpyrrol-3-yl]pyridine-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[[3-(2,2-dimethylpropylcarbamoyl)phenyl]methyl]-1-methylimidazole-2-carboxamide;4-[2-[6-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-2-pyridinyl]-2-oxoethyl]-N-(2,2-dimethylpropyl)-1-methylpyrrole-2-carboxamide;pentakis(yttrium)

C206H230N35O30SY5-5 — CID 162294228

IUPAC4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-[5-(4,4-dimethylpentanoyl)-1-methylpyrrol-3-yl]-2-pyridinyl]-1-methylimidazole-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[4-[2-(4,4-dimethylpentanoyl)-1,3-thiazol-4-yl]phenyl]-1-methylimidazole-2-carboxamide;5-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-(2,2-dimethylpropylcarbamoyl)-1-methylpyrrol-3-yl]pyridine-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[[3-(2,2-dimethylpropylcarbamoyl)phenyl]methyl]-1-methylimidazole-2-carboxamide;4-[2-[6-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-2-pyridinyl]-2-oxoethyl]-N-(2,2-dimethylpropyl)-1-methylpyrrole-2-carboxamide;pentakis(yttrium)
SMILESCOc1cc2c(cc1OCCCC(=O)Nc1ccc(C(=O)Nc3cc(C(=O)NCC(C)(C)C)n(C)c3)nc1)N(C)[CH-][C@@H]1Cc3ccccc3N1C2=O.COc1cc2c(cc1OCCCC(=O)Nc1cccc(C(=O)Cc3cc(C(=O)NCC(C)(C)C)n(C)c3)n1)N(C)[CH-][C@@H]1Cc3ccccc3N1C2=O.COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)NCc3cccc(C(=O)NCC(C)(C)C)c3)n1)N(C)[CH-][C@@H]1Cc3ccccc3N1C2=O.COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)Nc3ccc(-c4cc(C(=O)CCC(C)(C)C)n(C)c4)cn3)n1)N(C)[CH-][C@@H]1Cc3ccccc3N1C2=O.COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)Nc3ccc(-c4csc(C(=O)CCC(C)(C)C)n4)cc3)n1)N(C)[CH-][C@@H]1Cc3ccccc3N1C2=O.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C44H49N8O6.C43H46N7O6S.C40H46N7O6.C40H45N6O6.C39H44N7O6.5Y/c1-44(2,3)17-16-35(53)34-20-29(24-49(34)4)28-14-15-38(45-23-28)48-42(55)41-47-39(26-51(41)6)46-40(54)13-10-18-58-37-22-33-31(21-36(37)57-7)43(56)52-30(25-50(33)5)19-27-11-8-9-12-32(27)52;1-43(2,3)18-17-34(51)41-45-31(25-57-41)26-13-15-28(16-14-26)44-40(53)39-47-37(24-49(39)5)46-38(52)12-9-19-56-36-22-33-30(21-35(36)55-6)42(54)50-29(23-48(33)4)20-27-10-7-8-11-32(27)50;1-40(2,3)24-42-37(49)27-13-9-11-25(17-27)21-41-38(50)36-44-34(23-46(36)5)43-35(48)15-10-16-53-33-20-31-29(19-32(33)52-6)39(51)47-28(22-45(31)4)18-26-12-7-8-14-30(26)47;1-40(2,3)24-41-38(49)32-17-25(22-44(32)4)18-33(47)29-12-9-14-36(42-29)43-37(48)15-10-16-52-35-21-31-28(20-34(35)51-6)39(50)46-27(23-45(31)5)19-26-11-7-8-13-30(26)46;1-39(2,3)23-41-37(49)32-17-26(21-44(32)4)43-36(48)29-14-13-25(20-40-29)42-35(47)12-9-15-52-34-19-31-28(18-33(34)51-6)38(50)46-27(22-45(31)5)16-24-10-7-8-11-30(24)46;;;;;/h8-9,11-12,14-15,20-26,30H,10,13,16-19H2,1-7H3,(H,46,54)(H,45,48,55);7-8,10-11,13-16,21-25,29H,9,12,17-20H2,1-6H3,(H,44,53)(H,46,52);7-9,11-14,17,19-20,22-23,28H,10,15-16,18,21,24H2,1-6H3,(H,41,50)(H,42,49)(H,43,48);7-9,11-14,17,20-23,27H,10,15-16,18-19,24H2,1-6H3,(H,41,49)(H,42,43,48);7-8,10-11,13-14,17-22,27H,9,12,15-16,23H2,1-6H3,(H,41,49)(H,42,47)(H,43,48);;;;;/q5*-1;;;;;/t30-;29-;28-;2*27-;;;;;/m00000...../s1
InChIKeyHSOFSGZFSBUJMS-XQWFAIKLSA-N
MW4152.92 g/mol
LogP31.02
Rot. Bonds61

About 4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-[5-(4,4-dimethylpentanoyl)-1-methylpyrrol-3-yl]-2-pyridinyl]-1-methylimidazole-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[4-[2-(4,4-dimethylpentanoyl)-1,3-thiazol-4-yl]phenyl]-1-methylimidazole-2-carboxamide;5-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-(2,2-dimethylpropylcarbamoyl)-1-methylpyrrol-3-yl]pyridine-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[[3-(2,2-dimethylpropylcarbamoyl)phenyl]methyl]-1-methylimidazole-2-carboxamide;4-[2-[6-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-2-pyridinyl]-2-oxoethyl]-N-(2,2-dimethylpropyl)-1-methylpyrrole-2-carboxamide;pentakis(yttrium)

4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-[5-(4,4-dimethylpentanoyl)-1-methylpyrrol-3-yl]-2-pyridinyl]-1-methylimidazole-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[4-[2-(4,4-dimethylpentanoyl)-1,3-thiazol-4-yl]phenyl]-1-methylimidazole-2-carboxamide;5-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-(2,2-dimethylpropylcarbamoyl)-1-methylpyrrol-3-yl]pyridine-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[[3-(2,2-dimethylpropylcarbamoyl)phenyl]methyl]-1-methylimidazole-2-carboxamide;4-[2-[6-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-2-pyridinyl]-2-oxoethyl]-N-(2,2-dimethylpropyl)-1-methylpyrrole-2-carboxamide;pentakis(yttrium) (PubChem CID 162294228) has the molecular formula C206H230N35O30SY5-5 and a molecular weight of 4152.92 g/mol. Its IUPAC name is 4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-[5-(4,4-dimethylpentanoyl)-1-methylpyrrol-3-yl]-2-pyridinyl]-1-methylimidazole-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[4-[2-(4,4-dimethylpentanoyl)-1,3-thiazol-4-yl]phenyl]-1-methylimidazole-2-carboxamide;5-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-(2,2-dimethylpropylcarbamoyl)-1-methylpyrrol-3-yl]pyridine-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[[3-(2,2-dimethylpropylcarbamoyl)phenyl]methyl]-1-methylimidazole-2-carboxamide;4-[2-[6-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-2-pyridinyl]-2-oxoethyl]-N-(2,2-dimethylpropyl)-1-methylpyrrole-2-carboxamide;pentakis(yttrium).

Molecular Properties

Compound Name4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-[5-(4,4-dimethylpentanoyl)-1-methylpyrrol-3-yl]-2-pyridinyl]-1-methylimidazole-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[4-[2-(4,4-dimethylpentanoyl)-1,3-thiazol-4-yl]phenyl]-1-methylimidazole-2-carboxamide;5-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-(2,2-dimethylpropylcarbamoyl)-1-methylpyrrol-3-yl]pyridine-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[[3-(2,2-dimethylpropylcarbamoyl)phenyl]methyl]-1-methylimidazole-2-carboxamide;4-[2-[6-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-2-pyridinyl]-2-oxoethyl]-N-(2,2-dimethylpropyl)-1-methylpyrrole-2-carboxamide;pentakis(yttrium)
PubChem CID162294228
Molecular FormulaC206H230N35O30SY5-5
Molecular Weight4152.92 g/mol
Exact Mass4150.26
IUPAC Name4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-[5-(4,4-dimethylpentanoyl)-1-methylpyrrol-3-yl]-2-pyridinyl]-1-methylimidazole-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[4-[2-(4,4-dimethylpentanoyl)-1,3-thiazol-4-yl]phenyl]-1-methylimidazole-2-carboxamide;5-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-(2,2-dimethylpropylcarbamoyl)-1-methylpyrrol-3-yl]pyridine-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[[3-(2,2-dimethylpropylcarbamoyl)phenyl]methyl]-1-methylimidazole-2-carboxamide;4-[2-[6-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-2-pyridinyl]-2-oxoethyl]-N-(2,2-dimethylpropyl)-1-methylpyrrole-2-carboxamide;pentakis(yttrium)
SMILESCOc1cc2c(cc1OCCCC(=O)Nc1ccc(C(=O)Nc3cc(C(=O)NCC(C)(C)C)n(C)c3)nc1)N(C)[CH-][C@@H]1Cc3ccccc3N1C2=O.COc1cc2c(cc1OCCCC(=O)Nc1cccc(C(=O)Cc3cc(C(=O)NCC(C)(C)C)n(C)c3)n1)N(C)[CH-][C@@H]1Cc3ccccc3N1C2=O.COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)NCc3cccc(C(=O)NCC(C)(C)C)c3)n1)N(C)[CH-][C@@H]1Cc3ccccc3N1C2=O.COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)Nc3ccc(-c4cc(C(=O)CCC(C)(C)C)n(C)c4)cn3)n1)N(C)[CH-][C@@H]1Cc3ccccc3N1C2=O.COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)Nc3ccc(-c4csc(C(=O)CCC(C)(C)C)n4)cc3)n1)N(C)[CH-][C@@H]1Cc3ccccc3N1C2=O.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C44H49N8O6.C43H46N7O6S.C40H46N7O6.C40H45N6O6.C39H44N7O6.5Y/c1-44(2,3)17-16-35(53)34-20-29(24-49(34)4)28-14-15-38(45-23-28)48-42(55)41-47-39(26-51(41)6)46-40(54)13-10-18-58-37-22-33-31(21-36(37)57-7)43(56)52-30(25-50(33)5)19-27-11-8-9-12-32(27)52;1-43(2,3)18-17-34(51)41-45-31(25-57-41)26-13-15-28(16-14-26)44-40(53)39-47-37(24-49(39)5)46-38(52)12-9-19-56-36-22-33-30(21-35(36)55-6)42(54)50-29(23-48(33)4)20-27-10-7-8-11-32(27)50;1-40(2,3)24-42-37(49)27-13-9-11-25(17-27)21-41-38(50)36-44-34(23-46(36)5)43-35(48)15-10-16-53-33-20-31-29(19-32(33)52-6)39(51)47-28(22-45(31)4)18-26-12-7-8-14-30(26)47;1-40(2,3)24-41-38(49)32-17-25(22-44(32)4)18-33(47)29-12-9-14-36(42-29)43-37(48)15-10-16-52-35-21-31-28(20-34(35)51-6)39(50)46-27(23-45(31)5)19-26-11-7-8-13-30(26)46;1-39(2,3)23-41-37(49)32-17-26(21-44(32)4)43-36(48)29-14-13-25(20-40-29)42-35(47)12-9-15-52-34-19-31-28(18-33(34)51-6)38(50)46-27(22-45(31)5)16-24-10-7-8-11-30(24)46;;;;;/h8-9,11-12,14-15,20-26,30H,10,13,16-19H2,1-7H3,(H,46,54)(H,45,48,55);7-8,10-11,13-16,21-25,29H,9,12,17-20H2,1-6H3,(H,44,53)(H,46,52);7-9,11-14,17,19-20,22-23,28H,10,15-16,18,21,24H2,1-6H3,(H,41,50)(H,42,49)(H,43,48);7-9,11-14,17,20-23,27H,10,15-16,18-19,24H2,1-6H3,(H,41,49)(H,42,43,48);7-8,10-11,13-14,17-22,27H,9,12,15-16,23H2,1-6H3,(H,41,49)(H,42,47)(H,43,48);;;;;/q5*-1;;;;;/t30-;29-;28-;2*27-;;;;;/m00000...../s1
InChIKeyHSOFSGZFSBUJMS-XQWFAIKLSA-N
XLogP31.02
TPSA730.27 Ų
H-Bond Donors12
H-Bond Acceptors49
Rotatable Bonds61
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004152.92
LogP ≤ 531.02
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1049

Analyze 4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-[5-(4,4-dimethylpentanoyl)-1-methylpyrrol-3-yl]-2-pyridinyl]-1-methylimidazole-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[4-[2-(4,4-dimethylpentanoyl)-1,3-thiazol-4-yl]phenyl]-1-methylimidazole-2-carboxamide;5-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-(2,2-dimethylpropylcarbamoyl)-1-methylpyrrol-3-yl]pyridine-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[[3-(2,2-dimethylpropylcarbamoyl)phenyl]methyl]-1-methylimidazole-2-carboxamide;4-[2-[6-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-2-pyridinyl]-2-oxoethyl]-N-(2,2-dimethylpropyl)-1-methylpyrrole-2-carboxamide;pentakis(yttrium) with MolForge

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Related Compounds

(2R)-N-[(2S)-4-[4-[[4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-1-methylimidazole-2-carbonyl]amino]phenyl]-3-oxobutan-2-yl]-N',2-dimethyl-4-oxononanediamide;5-[2-[3-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]phenyl]-2-oxoethyl]-N-(2,2-dimethylpentyl)-1-benzothiophene-2-carboxamide;5-[2-[6-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-2-pyridinyl]-2-oxoethyl]-N-[2,2-dimethyl-3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;4-[[2-[3-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxymethyl]phenyl]acetyl]amino]-N-[4-[5-[4,4-dimethyl-5-(methylamino)pentanoyl]-1-methylpyrrol-3-yl]phenyl]-1-methylpyrrole-2-carboxamide;4-[[2-[3-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxymethyl]phenyl]acetyl]amino]-N-[5-[5-[4,4-dimethyl-5-(methylamino)pentanoyl]-1-methylpyrrol-3-yl]-2-pyridinyl]-1-methylimidazole-2-carboxamide;pentakis(yttrium)
CID 162289948
4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-N-[[3-[[2,2-dimethyl-3-(methylamino)propyl]carbamoyl]phenyl]methyl]-1-methylimidazole-2-carboxamide
CID 162293624
4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[4-[1-methyl-5-[(2-methyl-2-sulfanylpropyl)carbamoyl]pyrrol-3-yl]phenyl]imidazole-2-carboxamide
CID 155429502
4-[4-[[(6aS)-2-methoxy-14-oxo-7,12-dihydro-6aH-isoquinolino[3,2-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-N-[4-[1-methyl-5-[[2-methyl-2-(methyldisulfanyl)propyl]carbamoyl]pyrrol-3-yl]phenyl]imidazole-2-carboxamide
CID 155429474
4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[2-[[3-[3-(ethylideneamino)oxypropylamino]-3-oxopropyl]carbamoyl]-1-benzofuran-5-yl]-1-methylimidazole-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[2-[[3-[3-(ethylideneamino)oxypropylamino]-3-oxopropyl]carbamoyl]-1-benzothiophen-5-yl]-1-methylpyrrole-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[3-oxo-3-(3-propoxypropylamino)propyl]carbamoyl]-1-benzofuran-5-yl]imidazole-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-1-methyl-N-[2-[[3-oxo-3-(3-propoxypropylamino)propyl]carbamoyl]-1-benzothiophen-5-yl]pyrrole-2-carboxamide;tetrakis(yttrium)
CID 162288460
4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methyl-N-[4-[[4-methyl-4-(methyldisulfanyl)pentanoyl]amino]phenyl]imidazole-2-carboxamide
CID 155566255
4-[[4-[4-[(8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl)oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carboxamide
CID 122502747
4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-N-[5-[[5-[5-(tert-butylamino)indole-1-carbonyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide
CID 170261739
4-[4-[[(3S)-7-methoxy-4-methyl-3-[(2-methylphenyl)methyl]-5-oxo-3H-1,4-benzodiazepin-8-yl]oxy]butanoylamino]-1-methyl-N-[4-[1-methyl-5-[(2-methyl-2-sulfanylpropyl)carbamoyl]pyrrol-3-yl]phenyl]imidazole-2-carboxamide
CID 155429417
S-[3-[[4-[[4-[[4-[[4-[4-[(8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl)oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]-methylamino]propyl] ethanethioate
CID 59440158
4-[[(6aS)-2-methoxy-14-oxo-7,12-dihydro-6aH-isoquinolino[3,2-c][1,4]benzodiazepin-3-yl]oxy]butanoic acid;4-[2-[6-[4-[[(6aS)-2-methoxy-14-oxo-7,12-dihydro-6aH-isoquinolino[3,2-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-2-pyridinyl]-2-oxoethyl]-1-methyl-N-[2-methyl-2-(methyldisulfanyl)propyl]pyrrole-2-carboxamide;4-[2-(6-amino-2-pyridinyl)-2-oxoethyl]-1-methyl-N-[2-methyl-2-(methyldisulfanyl)propyl]pyrrole-2-carboxamide
CID 160615256
(6aS)-2-methoxy-3-[4-[[1-methyl-2-[[4-[1-methyl-5-(phenylcarbamoyl)pyrrol-3-yl]phenyl]carbamoyl]imidazol-4-yl]amino]-4-oxobutoxy]-6-(oxan-2-yloxy)-12-oxo-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepine-5-carboxylic acid
CID 135351251

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-[5-(4,4-dimethylpentanoyl)-1-methylpyrrol-3-yl]-2-pyridinyl]-1-methylimidazole-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[4-[2-(4,4-dimethylpentanoyl)-1,3-thiazol-4-yl]phenyl]-1-methylimidazole-2-carboxamide;5-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-(2,2-dimethylpropylcarbamoyl)-1-methylpyrrol-3-yl]pyridine-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[[3-(2,2-dimethylpropylcarbamoyl)phenyl]methyl]-1-methylimidazole-2-carboxamide;4-[2-[6-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-2-pyridinyl]-2-oxoethyl]-N-(2,2-dimethylpropyl)-1-methylpyrrole-2-carboxamide;pentakis(yttrium)?
The IUPAC name of 4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-[5-(4,4-dimethylpentanoyl)-1-methylpyrrol-3-yl]-2-pyridinyl]-1-methylimidazole-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[4-[2-(4,4-dimethylpentanoyl)-1,3-thiazol-4-yl]phenyl]-1-methylimidazole-2-carboxamide;5-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-(2,2-dimethylpropylcarbamoyl)-1-methylpyrrol-3-yl]pyridine-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[[3-(2,2-dimethylpropylcarbamoyl)phenyl]methyl]-1-methylimidazole-2-carboxamide;4-[2-[6-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-2-pyridinyl]-2-oxoethyl]-N-(2,2-dimethylpropyl)-1-methylpyrrole-2-carboxamide;pentakis(yttrium) (CID 162294228) is 4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-[5-(4,4-dimethylpentanoyl)-1-methylpyrrol-3-yl]-2-pyridinyl]-1-methylimidazole-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[4-[2-(4,4-dimethylpentanoyl)-1,3-thiazol-4-yl]phenyl]-1-methylimidazole-2-carboxamide;5-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-(2,2-dimethylpropylcarbamoyl)-1-methylpyrrol-3-yl]pyridine-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[[3-(2,2-dimethylpropylcarbamoyl)phenyl]methyl]-1-methylimidazole-2-carboxamide;4-[2-[6-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-2-pyridinyl]-2-oxoethyl]-N-(2,2-dimethylpropyl)-1-methylpyrrole-2-carboxamide;pentakis(yttrium).
What is the SMILES notation for 4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-[5-(4,4-dimethylpentanoyl)-1-methylpyrrol-3-yl]-2-pyridinyl]-1-methylimidazole-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[4-[2-(4,4-dimethylpentanoyl)-1,3-thiazol-4-yl]phenyl]-1-methylimidazole-2-carboxamide;5-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-(2,2-dimethylpropylcarbamoyl)-1-methylpyrrol-3-yl]pyridine-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[[3-(2,2-dimethylpropylcarbamoyl)phenyl]methyl]-1-methylimidazole-2-carboxamide;4-[2-[6-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-2-pyridinyl]-2-oxoethyl]-N-(2,2-dimethylpropyl)-1-methylpyrrole-2-carboxamide;pentakis(yttrium)?
The canonical SMILES for 4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-[5-(4,4-dimethylpentanoyl)-1-methylpyrrol-3-yl]-2-pyridinyl]-1-methylimidazole-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[4-[2-(4,4-dimethylpentanoyl)-1,3-thiazol-4-yl]phenyl]-1-methylimidazole-2-carboxamide;5-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-(2,2-dimethylpropylcarbamoyl)-1-methylpyrrol-3-yl]pyridine-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[[3-(2,2-dimethylpropylcarbamoyl)phenyl]methyl]-1-methylimidazole-2-carboxamide;4-[2-[6-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-2-pyridinyl]-2-oxoethyl]-N-(2,2-dimethylpropyl)-1-methylpyrrole-2-carboxamide;pentakis(yttrium) is COc1cc2c(cc1OCCCC(=O)Nc1ccc(C(=O)Nc3cc(C(=O)NCC(C)(C)C)n(C)c3)nc1)N(C)[CH-][C@@H]1Cc3ccccc3N1C2=O.COc1cc2c(cc1OCCCC(=O)Nc1cccc(C(=O)Cc3cc(C(=O)NCC(C)(C)C)n(C)c3)n1)N(C)[CH-][C@@H]1Cc3ccccc3N1C2=O.COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)NCc3cccc(C(=O)NCC(C)(C)C)c3)n1)N(C)[CH-][C@@H]1Cc3ccccc3N1C2=O.COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)Nc3ccc(-c4cc(C(=O)CCC(C)(C)C)n(C)c4)cn3)n1)N(C)[CH-][C@@H]1Cc3ccccc3N1C2=O.COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)Nc3ccc(-c4csc(C(=O)CCC(C)(C)C)n4)cc3)n1)N(C)[CH-][C@@H]1Cc3ccccc3N1C2=O.[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-[5-(4,4-dimethylpentanoyl)-1-methylpyrrol-3-yl]-2-pyridinyl]-1-methylimidazole-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[4-[2-(4,4-dimethylpentanoyl)-1,3-thiazol-4-yl]phenyl]-1-methylimidazole-2-carboxamide;5-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-(2,2-dimethylpropylcarbamoyl)-1-methylpyrrol-3-yl]pyridine-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[[3-(2,2-dimethylpropylcarbamoyl)phenyl]methyl]-1-methylimidazole-2-carboxamide;4-[2-[6-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-2-pyridinyl]-2-oxoethyl]-N-(2,2-dimethylpropyl)-1-methylpyrrole-2-carboxamide;pentakis(yttrium)?
The InChIKey is HSOFSGZFSBUJMS-XQWFAIKLSA-N. The full InChI is InChI=1S/C44H49N8O6.C43H46N7O6S.C40H46N7O6.C40H45N6O6.C39H44N7O6.5Y/c1-44(2,3)17-16-35(53)34-20-29(24-49(34)4)28-14-15-38(45-23-28)48-42(55)41-47-39(26-51(41)6)46-40(54)13-10-18-58-37-22-33-31(21-36(37)57-7)43(56)52-30(25-50(33)5)19-27-11-8-9-12-32(27)52;1-43(2,3)18-17-34(51)41-45-31(25-57-41)26-13-15-28(16-14-26)44-40(53)39-47-37(24-49(39)5)46-38(52)12-9-19-56-36-22-33-30(21-35(36)55-6)42(54)50-29(23-48(33)4)20-27-10-7-8-11-32(27)50;1-40(2,3)24-42-37(49)27-13-9-11-25(17-27)21-41-38(50)36-44-34(23-46(36)5)43-35(48)15-10-16-53-33-20-31-29(19-32(33)52-6)39(51)47-28(22-45(31)4)18-26-12-7-8-14-30(26)47;1-40(2,3)24-41-38(49)32-17-25(22-44(32)4)18-33(47)29-12-9-14-36(42-29)43-37(48)15-10-16-52-35-21-31-28(20-34(35)51-6)39(50)46-27(23-45(31)5)19-26-11-7-8-13-30(26)46;1-39(2,3)23-41-37(49)32-17-26(21-44(32)4)43-36(48)29-14-13-25(20-40-29)42-35(47)12-9-15-52-34-19-31-28(18-33(34)51-6)38(50)46-27(22-45(31)5)16-24-10-7-8-11-30(24)46;;;;;/h8-9,11-12,14-15,20-26,30H,10,13,16-19H2,1-7H3,(H,46,54)(H,45,48,55);7-8,10-11,13-16,21-25,29H,9,12,17-20H2,1-6H3,(H,44,53)(H,46,52);7-9,11-14,17,19-20,22-23,28H,10,15-16,18,21,24H2,1-6H3,(H,41,50)(H,42,49)(H,43,48);7-9,11-14,17,20-23,27H,10,15-16,18-19,24H2,1-6H3,(H,41,49)(H,42,43,48);7-8,10-11,13-14,17-22,27H,9,12,15-16,23H2,1-6H3,(H,41,49)(H,42,47)(H,43,48);;;;;/q5*-1;;;;;/t30-;29-;28-;2*27-;;;;;/m00000...../s1.
What are the key properties of 4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-[5-(4,4-dimethylpentanoyl)-1-methylpyrrol-3-yl]-2-pyridinyl]-1-methylimidazole-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[4-[2-(4,4-dimethylpentanoyl)-1,3-thiazol-4-yl]phenyl]-1-methylimidazole-2-carboxamide;5-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-(2,2-dimethylpropylcarbamoyl)-1-methylpyrrol-3-yl]pyridine-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[[3-(2,2-dimethylpropylcarbamoyl)phenyl]methyl]-1-methylimidazole-2-carboxamide;4-[2-[6-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-2-pyridinyl]-2-oxoethyl]-N-(2,2-dimethylpropyl)-1-methylpyrrole-2-carboxamide;pentakis(yttrium)?
4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-[5-(4,4-dimethylpentanoyl)-1-methylpyrrol-3-yl]-2-pyridinyl]-1-methylimidazole-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[4-[2-(4,4-dimethylpentanoyl)-1,3-thiazol-4-yl]phenyl]-1-methylimidazole-2-carboxamide;5-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-(2,2-dimethylpropylcarbamoyl)-1-methylpyrrol-3-yl]pyridine-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[[3-(2,2-dimethylpropylcarbamoyl)phenyl]methyl]-1-methylimidazole-2-carboxamide;4-[2-[6-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-2-pyridinyl]-2-oxoethyl]-N-(2,2-dimethylpropyl)-1-methylpyrrole-2-carboxamide;pentakis(yttrium) has a molecular weight of 4152.92 g/mol, XLogP of 31.02, 61 rotatable bonds, 12 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-[5-(4,4-dimethylpentanoyl)-1-methylpyrrol-3-yl]-2-pyridinyl]-1-methylimidazole-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[4-[2-(4,4-dimethylpentanoyl)-1,3-thiazol-4-yl]phenyl]-1-methylimidazole-2-carboxamide;5-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[5-(2,2-dimethylpropylcarbamoyl)-1-methylpyrrol-3-yl]pyridine-2-carboxamide;4-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-N-[[3-(2,2-dimethylpropylcarbamoyl)phenyl]methyl]-1-methylimidazole-2-carboxamide;4-[2-[6-[4-[[(12aS)-8-methoxy-11-methyl-6-oxo-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-12-id-9-yl]oxy]butanoylamino]-2-pyridinyl]-2-oxoethyl]-N-(2,2-dimethylpropyl)-1-methylpyrrole-2-carboxamide;pentakis(yttrium) is sourced from PubChem (CID 162294228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).