Bms-741672
N-[(1R,2S,5R)-5-[methyl(propan-2-yl)amino]-2-[(3S)-2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]cyclohexyl]methanesulfonamide
Molecular Identity
Bms-741672
N-[(1R,2S,5R)-5-[methyl(propan-2-yl)amino]-2-[(3S)-2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]cyclohexyl]methanesulfonamide
PubChem CID: 154572822
2D Structure
Properties
C24H33F3N6O3S
Molecular Formula
542.60
Molecular Weight
g/mol
542.2287
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
116
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
11
H-Bond Acceptors
914
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)N(C)C1CCC(C(C1)NS(=O)(=O)C)N2CCC(C2=O)NC3=NC=NC4=C3C=C(C=C4)C(F)(F)FIsomeric SMILES
SMILES: CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)NS(=O)(=O)C)N2CC[C@@H](C2=O)NC3=NC=NC4=C3C=C(C=C4)C(F)(F)FSynonyms(18)
3UAA36FHF1BMS741672BMS 741672UNII-3UAA36FHF11386991-77-0N-(5-(Isopropyl(methyl)amino)-2-(2-oxo-3-((6-(trifluoromethyl)quinazolin-4-yl)amino)pyrrolidin-1-yl)cyclohexyl)methanesulfonamideRefChem:120739BMS-741672compound 1a (PMID: 34141082)compound 1a [PMID: 34141082]compound 7 (PMID: 30891130)compound 7 [PMID: 30891130]N-((1R,2S,5R)-5-(methyl(propan-2-yl)amino)-2-((3S)-2-oxo-3-((6-(trifluoromethyl)quinazolin-4-yl)amino)pyrrolidin-1-yl)cyclohexyl)acetamideN-[(1R,2S,5R)-5-[methyl(propan-2-yl)amino]-2-[(3S)-2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]cyclohexyl]acetamideCHEMBL4457723
Data from PubChem (NCBI)
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Drug Network
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