compound 3 [PMID: 21310611]

Ligand id: 5724

Name: compound 3 [PMID: 21310611]

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 58.64
Molecular weight 416.17
XLogP 3.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1-methylcyclopropyl) 4-[(1S)-1-fluoro-2-[[2-(2,3,6-trifluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxylate
Database Links
ChEMBL Ligand CHEMBL1683943
PubChem CID 51346816
Search Google for chemical match using the InChIKey QCIKTRZVLCLGFT-MRXNPFEDSA-N
Search Google for chemicals with the same backbone QCIKTRZVLCLGFT
Search UniChem for chemical match using the InChIKey QCIKTRZVLCLGFT-MRXNPFEDSA-N
Search UniChem for chemicals with the same backbone QCIKTRZVLCLGFT