alpha-ketothiazole analogue 36

Ligand id: 6549

Name: alpha-ketothiazole analogue 36

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 15
Hydrogen bond donors 8
Rotatable bonds 23
Topological polar surface area 277.05
Molecular weight 722.23
XLogP 1.33
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoylamino]-5-(carbamoylamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide
Database Links
ChEMBL Ligand CHEMBL273653
PubChem CID 16098914
Search Google for chemical match using the InChIKey BGBJLVHKOHYLME-MNAPGUCWSA-N
Search Google for chemicals with the same backbone BGBJLVHKOHYLME
Comments
Factor 11 inhibitor