Ivaltinostat
(E)-N-[3-(dimethylamino)propyl]-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide
Molecular Identity
Ivaltinostat
(E)-N-[3-(dimethylamino)propyl]-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide
PubChem CID: 16117309
2D Structure
Properties
C24H33N3O4
Molecular Formula
427.50
Molecular Weight
g/mol
427.2471
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
90.9
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
579
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)CCCNC(=O)C(=CCCCCC(=O)NO)COC1=CC=CC2=CC=CC=C21Isomeric SMILES
SMILES: CN(C)CCCNC(=O)/C(=C/CCCCC(=O)NO)/COC1=CC=CC2=CC=CC=C21Synonyms(20)
Ivaltinostat936221-33-9CG-200745CG2007454I8MLM7L2HJ3.106.463EHDCG-0745CG 2 (HDAC INHIBITOR)DTXSID801028069(E)-N-(3-(Dimethylamino)propyl)-N'-hydroxy-2-((1-naphthyloxy)methyl)-2-octenediamide2-Octenediamide, N1-(3-(dimethylamino)propyl)-N8-hydroxy-2-((1-naphthalenyloxy)methyl)-, (2E)-(E)-N-(3-dimethylaminopropyl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamideRefChem:124753HDAC inhibitor CG200745DTXCID301513637
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Ivaltinostat
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