J-104118

Ligand id: 3070

Name: J-104118

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 103.7
Molecular weight 545.12
XLogP 7.47
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-({[(2S,3S)-4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-yl]carbamoyl}methyl)butanedioic acid
Synonyms
J 104118
Database Links
CAS Registry No. 172277-82-6 (source: Scifinder)
ChEMBL Ligand CHEMBL61985
PubChem CID 10460101
Search Google for chemical match using the InChIKey NBRLADMQSZWKGO-XUEUYAKLSA-N
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Search UniChem for chemical match using the InChIKey NBRLADMQSZWKGO-XUEUYAKLSA-N
Search UniChem for chemicals with the same backbone NBRLADMQSZWKGO