Bms-986115
(2S,3R)-N'-[(3S)-5-(3-fluorophenyl)-9-methyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)butanediamide
Molecular Identity
Bms-986115
(2S,3R)-N'-[(3S)-5-(3-fluorophenyl)-9-methyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)butanediamide
PubChem CID: 73388393
2D Structure
Properties
C26H25F7N4O3
Molecular Formula
574.50
Molecular Weight
g/mol
574.1815
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
114
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
11
H-Bond Acceptors
956
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C2C(=CC=C1)C(=NC(C(=O)N2)NC(=O)C(CCC(F)(F)F)C(CCC(F)(F)F)C(=O)N)C3=CC(=CC=C3)FIsomeric SMILES
SMILES: CC1=C2C(=CC=C1)C(=N[C@@H](C(=O)N2)NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(=O)N)C3=CC(=CC=C3)FSynonyms(20)
1584647-27-7BMS-986115VaregacestatLSK1L593UUBMS 986115Butanediamide, N1-((3S)-5-(3-fluorophenyl)-2,3-dihydro-9-methyl-2-oxo-1H-1,4-benzodiazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)-, (2R,3S)-Butanediamide, N1-[(3S)-5-(3-fluorophenyl)-2,3-dihydro-9-methyl-2-oxo-1H-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)-, (2R,3S)-RefChem:120765(2R,3S)-N-((3S)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)butanediamideNotch inhibitor 1UNII-LSK1L593UU(2S,3R)-N'-[(3S)-5-(3-fluorophenyl)-9-methyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)butanediamideBMS986115(2R,3S)-N1-[(3S)-5-(3-Fluorophenyl)-2,3-dihydro-9-methyl-2-oxo-1H-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)butanediamide(2R,3S)-N-((3S)-5-(3-fluorophenyl)-9-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-2,3-bis(3,3,3-trifluoropropyl)succinamide
Data from PubChem (NCBI)
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