Citarinostat
2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide
Molecular Identity
Citarinostat
2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide
PubChem CID: 53340426
2D Structure
Properties
C24H26ClN5O3
Molecular Formula
467.90
Molecular Weight
g/mol
467.1724
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
107
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
597
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2Cl)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NOIsomeric SMILES
SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2Cl)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NOSynonyms(20)
Citarinostat1316215-12-9ACY-241HDAC-IN-22-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamideACY241441P620G3P2-((2-Chlorophenyl)phenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)-5-pyrimidinecarboxamide2-[(2-Chlorophenyl)phenylamino]-N-[7-(hydroxyamino)-7-oxoheptyl]-5-pyrimidinecarboxamide5-Pyrimidinecarboxamide, 2-[(2-chlorophenyl)phenylamino]-N-[7-(hydroxyamino)-7-oxoheptyl]-5-Pyrimidinecarboxamide, 2-((2-chlorophenyl)phenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)-7-({2-[(2-chlorophenyl)(phenyl)amino]pyrimidin-5-yl}formamido)-N-hydroxyheptanamidecitarinostatum2-(N-(2-chlorophenyl)anilino)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide7-((2-((2-chlorophenyl)(phenyl)amino)pyrimidin-5-yl)formamido)-N-hydroxyheptanamide
Data from PubChem (NCBI)
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