resminostat   Click here for help

GtoPdb Ligand ID: 7502

Synonyms: 4SC-201 | BYK408740 | RAS2410
PDB Ligand
Compound class: Synthetic organic
Comment: Resminostat is an HDAC inhibitor with selectivity for HDACs 1, 3 and 6, with significantly lower affinity for HDAC8 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 100.02
Molecular weight 349.11
XLogP 1.08
No. Lipinski's rules broken 0
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Canonical SMILES ONC(=O)C=Cc1ccn(c1)S(=O)(=O)c1ccc(cc1)CN(C)C
Isomeric SMILES ONC(=O)/C=C/c1ccn(c1)S(=O)(=O)c1ccc(cc1)CN(C)C
InChI InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+
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
9239 resminostat
Synonyms Click here for help
4SC-201 | BYK408740 | RAS2410
Database Links Click here for help
CAS Registry No. 864814-88-0
GtoPdb PubChem SID 187051804
PubChem CID 11609955
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Wikipedia Resminostat