mocetinostat   Click here for help

GtoPdb Ligand ID: 7008

Synonyms: MGCD0103
Compound class: Synthetic organic
Comment: Mocetinostat inhibits Class I HDACs [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 105.82
Molecular weight 396.17
XLogP 2.74
No. Lipinski's rules broken 0
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Canonical SMILES O=C(c1ccc(cc1)CNc1nccc(n1)c1cccnc1)Nc1ccccc1N
Isomeric SMILES O=C(c1ccc(cc1)CNc1nccc(n1)c1cccnc1)Nc1ccccc1N
InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9086 mocetinostat
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 726169-73-9
ChEMBL Ligand CHEMBL272980
GtoPdb PubChem SID 178103587
PubChem CID 9865515
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Wikipedia Mocetinostat