Asengeprast
2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzoic acid
Molecular Identity
Asengeprast
2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzoic acid
PubChem CID: 23648966
2D Structure
Properties
C20H17NO5
Molecular Formula
351.40
Molecular Weight
g/mol
351.1107
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
84.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
564
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C=CC(=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OCC#CIsomeric SMILES
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OCC#CSynonyms(20)
FT0111001288-58-9asengeprastSHP-627FT-011FT-11C6V7ZU2NPR2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzoic acid2-(((E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl)amino)benzoic acidRefChem:182766Benzoic acid, 2-[[(2E)-3-[3-methoxy-4-(2-propyn-1-yloxy)phenyl]-1-oxo-2-propen-1-yl]amino]-2-(3-Methoxy-4-propargyloxycinnamoyl)aminobenzoic acid(E)-2-(3-(3-Methoxy-4-(prop-2-yn-1-yloxy)phenyl)acrylamido)benzoic acid(E)-2-[[3-(3-methoxy-4-propargyloxyphenyl)-1-oxo-2-propenyl]amino]benzoic acidBenzoic acid, 2-(((2E)-3-(3-methoxy-4-(2-propyn-1-yloxy)phenyl)-1-oxo-2-propen-1-yl)amino)-
Data from PubChem (NCBI)
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