Tefinostat
cyclopentyl (2S)-2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylamino]-2-phenylacetate
Molecular Identity
Tefinostat
cyclopentyl (2S)-2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylamino]-2-phenylacetate
PubChem CID: 15940949
2D Structure
Properties
C28H37N3O5
Molecular Formula
495.60
Molecular Weight
g/mol
495.2733
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
117
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
6
H-Bond Acceptors
668
Complexity
SMILES
Canonical SMILES
SMILES: C1CCC(C1)OC(=O)C(C2=CC=CC=C2)NCC3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NOIsomeric SMILES
SMILES: C1CCC(C1)OC(=O)[C@H](C2=CC=CC=C2)NCC3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NOSynonyms(20)
Tefinostat914382-60-8chr-2845ZAU91150SBCHR2845Cyclopentyl (2S)-2-(((4-(8-(hydroxyamino)-8-oxooctanamido)phenyl)methyl)amino)-2-phenylacetateDTXSID00238568Benzeneacetic acid, alpha-(((4-((8-(hydroxyamino)-1,8-dioxooctyl)amino)phenyl)methyl)amino)-, cyclopentyl ester, (alphas)-tefinostatumRefChem:187706DTXCID50161059CHR 2845cyclopentyl (2S)-2-(((4-(7-(hydroxycarbamoyl)heptanamido)phenyl)methyl)amino)-2-phenylacetateTefinostat [INN]UNII-ZAU91150SB
Data from PubChem (NCBI)
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