Fipaxalparant
2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
Molecular Identity
Fipaxalparant
2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID: 44481866
2D Structure
Properties
C27H27NO5
Molecular Formula
445.50
Molecular Weight
g/mol
445.1889
Exact Mass
Da
4.9
XLogP
Drug-like (Lipinski: < 5)
84.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
667
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=CC=C1)CCOC2=C(C=CC(=C2)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O)OCIsomeric SMILES
SMILES: CC1=CC(=CC=C1)CCOC2=C(C=CC(=C2)C(=O)NC3(CC4=CC=CC=C4C3)C(=O)O)OCSynonyms(20)
1195941-38-8SAR-100842FIPAXALPARANTCZN001CZN-001SAR100842Y76WZ464EYHZN-8252-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid2-{4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acidA003423457A-0034234571H-Indene-2-carboxylic acid, 2,3-dihydro-2-((4-methoxy-3-(2-(3-methylphenyl)ethoxy)benzoyl)amino)-1H-Indene-2-carboxylic acid, 2,3-dihydro-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-2-((4-methoxy-3-(2-(3-methylphenyl)ethoxy)benzoyl)amino)-1,3-dihydroindene-2-carboxylic acid
Data from PubChem (NCBI)
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