Bms-791325
(8S,10S)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
Molecular Identity
Bms-791325
(8S,10S)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
PubChem CID: 71587917
2D Structure
Properties
C36H47N5O4S
Molecular Formula
645.90
Molecular Weight
g/mol
645.3349
Exact Mass
Da
5.4
XLogP
Above Lipinski threshold
95.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
1240
Complexity
SMILES
Canonical SMILES
SMILES: CN1CC2CCC(C1)N2CC34CC3C5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8Isomeric SMILES
SMILES: CN1C[C@H]2CC[C@@H](C1)N2C[C@]34C[C@H]3C5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8Synonyms(7)
1058073-52-1DTXSID10147354RefChem:917430DTXCID9069845Bms-79132512-Cyclohexyl-N-((dimethylamino)sulfonyl)-4b,5,5a,6-tetrahydro-3-methoxy-5a-((3-methyl-3,8-diazabicyclo(3.2.1)oct-8-yl)methyl)cycloprop(d)indolo(2,1-a)(2)benzazepine-9-carboxamide(4bS,5aS)-12-Cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-5a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl}-4b,5,5a,6-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-9-carboxamide
Data from PubChem (NCBI)
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