Nidufexor
4-[[benzyl-(8-chloro-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carbonyl)amino]methyl]benzoic acid
Molecular Identity
Nidufexor
4-[[benzyl-(8-chloro-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carbonyl)amino]methyl]benzoic acid
PubChem CID: 118063735
2D Structure
Properties
C27H22ClN3O4
Molecular Formula
487.90
Molecular Weight
g/mol
487.1299
Exact Mass
Da
4.4
XLogP
Drug-like (Lipinski: < 5)
84.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
755
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2=C(COC3=C2C=C(C=C3)Cl)C(=N1)C(=O)N(CC4=CC=CC=C4)CC5=CC=C(C=C5)C(=O)OIsomeric SMILES
SMILES: CN1C2=C(COC3=C2C=C(C=C3)Cl)C(=N1)C(=O)N(CC4=CC=CC=C4)CC5=CC=C(C=C5)C(=O)OSynonyms(20)
NidufexorLMB-763LMB763Nidufexor [INN]CJ1PL0TE6J4-[[benzyl-(8-chloro-1-methyl-4H-chromeno[4,3-c]pyrazole-3-carbonyl)amino]methyl]benzoic acidUNII-CJ1PL0TE6JBenzoic acid, 4-[[[(8-chloro-1,4-dihydro-1-methyl[1]benzopyrano[4,3-c]pyrazol-3-yl)carbonyl](phenylmethyl)amino]methyl]-NIDUFEXOR [WHO-DD]compound 1 [PMID: 31940200]Benzoic acid, 4-((((8-chloro-1,4-dihydro-1-methyl(1)benzopyrano(4,3-C)pyrazol-3-yl)carbonyl)(phenylmethyl)amino)methyl)-compound 1 (PMID: 31940200)nidufexorum4-((benzyl-(8-chloro-1-methyl-4H-chromeno(4,3-c)pyrazole-3-carbonyl)amino)methyl)benzoic acidRefChem:165772
Data from PubChem (NCBI)
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