batimastat

Ligand id: 5145

Name: batimastat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 15
Topological polar surface area 161.07
Molecular weight 477.18
XLogP 5.42
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R,3S)-N-hydroxy-N'-[(1S)-1-(methylcarbamoyl)-2-phenylethyl]-2-(2-methylpropyl)-3-[(thiophen-2-ylsulfanyl)methyl]butanediamide
International Nonproprietary Names
INN number INN
7154 batimastat
Synonyms
BB 94 | BB-94 | BB94
Database Links
CAS Registry No. 130370-60-4
ChEMBL Ligand CHEMBL279786
DrugBank Ligand DB03880
GtoPdb PubChem SID 178101837
PubChem CID 5362422
RCSB PDB Ligand BAT
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Search UniChem for chemical match using the InChIKey XFILPEOLDIKJHX-QYZOEREBSA-N
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Wikipedia Batimastat