compound 1 [PMID: 23589301]

Ligand id: 6488

Name: compound 1 [PMID: 23589301]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 98.74
Molecular weight 474.06
XLogP 6.83
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-{cyclopropyl[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]carbamoyl}-4-phenylbutanoic acid
Database Links
PubChem CID 67209274
Search Google for chemical match using the InChIKey LCRQPJWEPVZEBE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LCRQPJWEPVZEBE
Search UniChem for chemical match using the InChIKey LCRQPJWEPVZEBE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LCRQPJWEPVZEBE
Comments
Please note that this compound appears in the publication and on PubChem with IUPAC name 3-benzyl-4-(cyclopropyl-(4-(2,5-dichlorophenyl)thiazol-2-yl)amino)-4-oxobutanoic acid, which differs to the IUPAC name listed above.