Bay1436032
3-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]propanoic acid
Molecular Identity
Bay1436032
3-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]propanoic acid
PubChem CID: 118310260
2D Structure
Properties
C26H30F3N3O3
Molecular Formula
489.50
Molecular Weight
g/mol
489.2239
Exact Mass
Da
7.2
XLogP
Above Lipinski threshold
76.4
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
726
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC(CC(C1)(C)C)N2C3=C(C=C(C=C3)CCC(=O)O)N=C2NC4=CC=C(C=C4)OC(F)(F)FIsomeric SMILES
SMILES: C[C@H]1C[C@H](CC(C1)(C)C)N2C3=C(C=C(C=C3)CCC(=O)O)N=C2NC4=CC=C(C=C4)OC(F)(F)FSynonyms(20)
BAY-14360321803274-65-8BAY1436032BAY 1436032RefChem:116744Pan-Mutant-IDH1 Inhibitor Bay-14360323-(2-((4-(trifluoromethoxy)phenyl)amino)-1-((1R,5R)-3,3,5-trimethylcyclohexyl)-1H-benzo[d]imidazol-5-yl)propanoic acid3-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]propanoic acidRNMAUIMMNAHKQR-QFBILLFUSA-N8R3V6LDU0Vorb1296249orb1941067CHEMBL4206033SCHEMBL17009632SCHEMBL30192044
Data from PubChem (NCBI)
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