dacinostat   Click here for help

GtoPdb Ligand ID: 7497

Synonyms: LAQ-824 | NVP-LAQ824
Compound class: Synthetic organic
Comment: NVP-LAQ824 is a non-selective histone deacetylase (HDAC) inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 88.59
Molecular weight 379.19
XLogP 2.28
No. Lipinski's rules broken 0
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Canonical SMILES OCCN(Cc1ccc(cc1)C=CC(=O)NO)CCc1c[nH]c2c1cccc2
Isomeric SMILES OCCN(Cc1ccc(cc1)/C=C/C(=O)NO)CCc1c[nH]c2c1cccc2
InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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
8388 dacinostat
Synonyms Click here for help
LAQ-824 | NVP-LAQ824
Database Links Click here for help
CAS Registry No. 404951-53-7
ChEMBL Ligand CHEMBL356066
GtoPdb PubChem SID 187051799
PubChem CID 6445533
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UniChem Compound Search for chemical match using the InChIKey BWDQBBCUWLSASG-MDZDMXLPSA-N
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