Bms-986142
(7S)-3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
Molecular Identity
Bms-986142
(7S)-3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID: 86582336
2D Structure
Properties
C32H30F2N4O4
Molecular Formula
572.60
Molecular Weight
g/mol
572.2235
Exact Mass
Da
4.4
XLogP
Drug-like (Lipinski: < 5)
120
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
1090
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=CC=C1N2C(=O)C3=C(C(=CC=C3)F)N(C2=O)C)C4=C(C=C(C5=C4C6=C(N5)CC(CC6)C(C)(C)O)C(=O)N)FIsomeric SMILES
SMILES: CC1=C(C=CC=C1N2C(=O)C3=C(C(=CC=C3)F)N(C2=O)C)C4=C(C=C(C5=C4C6=C(N5)C[C@H](CC6)C(C)(C)O)C(=O)N)FSynonyms(20)
BMS-9861421643368-58-4UNII-PJX9GH268RPJX9GH268RBMS986142(7S)-3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamidecompound 14f [PMID: 27583770](2S)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamidecompound 14f (PMID: 27583770)(2S)-6-fluoro-5-(3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl)-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide(7S)-3-fluoro-4-(3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamideRefChem:120770CHEMBL3900554C32H30F2N4O46-Fluoro-5-(R)-(3-(S)-(8-Fluoro-1-Methyl-2,4-Dioxo-1,2-Dihydroquinazolin-3(4h)-Yl)-2-Methylphenyl)-2-(S)-(2-Hydroxypropan-2-Yl)-2,3,4,9-Tetrahydro-1h-Carbazole-8-Carboxamide
Data from PubChem (NCBI)
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