Domatinostat
(E)-N-(2-aminophenyl)-3-[1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
Molecular Identity
Domatinostat
(E)-N-(2-aminophenyl)-3-[1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
PubChem CID: 15985904
2D Structure
Properties
C23H21N5O3S
Molecular Formula
447.50
Molecular Weight
g/mol
447.1365
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
120
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
775
Complexity
SMILES
Canonical SMILES
SMILES: CN1C=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)N3C=CC(=C3)C=CC(=O)NC4=CC=CC=C4NIsomeric SMILES
SMILES: CN1C=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)N3C=CC(=C3)/C=C/C(=O)NC4=CC=CC=C4NSynonyms(20)
Domatinostat910462-43-04SC-202(E)-N-(2-aminophenyl)-3-(1-((4-(1-methyl-1H-pyrazol-4-yl)phenyl)sulfonyl)-1H-pyrrol-3-yl)acrylamide264ARM7UXXHdac inhibitor 4sc-2022-Propenamide, N-(2-aminophenyl)-3-(1-((4-(1-methyl-1H-pyrazol-4-yl)phenyl)sulfonyl)-1H-pyrrol-3-yl)-, (2E)-domatinostatumRefChem:920610(2E)-N-(2-aminophenyl)-3-(1-(4-(1-methyl-1H-pyrazol-4-yl)benzenesulfonyl)-1H-pyrrol-3-yl)prop-2-enamide4SC-202 (free base)(E)-N-(2-aminophenyl)-3-[1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpyrrol-3-yl]prop-2-enamideMFCD28155264DOMATINOSTAT [INN]UNII-264ARM7UXX
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Domatinostat
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