Cambritaxestat
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
Molecular Identity
Cambritaxestat
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID: 122199235
2D Structure
Properties
C25H22ClF3N4O2
Molecular Formula
502.90
Molecular Weight
g/mol
502.1383
Exact Mass
Da
5.5
XLogP
Above Lipinski threshold
69
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
684
Complexity
SMILES
Canonical SMILES
SMILES: CC(C1=CC=C(C=C1)Cl)NC(=O)CCC2=NC3=C(N2CC4=CC=C(C=C4)OC(F)(F)F)N=CC=C3Isomeric SMILES
SMILES: C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)CCC2=NC3=C(N2CC4=CC=C(C=C4)OC(F)(F)F)N=CC=C3Synonyms(20)
CRT02737501979939-16-6cambritaxestatIOA-289IOA289CHEMBL3917975N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide(S)-N-(1-(4-Chlorophenyl)ethyl)-3-(3-(4-(trifluoromethoxy)benzyl)-3H-imidazo[4,5-b]pyridin-2-yl)propanamidecambritaxestat [INN]LYY3P2KA27orb1304527SCHEMBL17966918GTPL13506HXYXHSDYBDFOFO-INIZCTEOSA-NBDBM50200622
Data from PubChem (NCBI)
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