SC46275

Ligand id: 3331

Name: SC46275

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 83.83
Molecular weight 416.26
XLogP 3.14
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
methyl (4Z)-7-[(1R,2R,3R)-2-[(1E,4R,5E)-6-(cyclopent-1-en-1-yl)-4-hydroxy-4-methylhexa-1,5-dien-1-yl]-3-hydroxy-5-oxocyclopentyl]hept-4-enoate
Synonyms
SC-46275
Database Links
CAS Registry No. 137255-19-7 (source: Scifinder)
ChEMBL Ligand CHEMBL49922
PubChem CID 5311427
Search Google for chemical match using the InChIKey ZZVPHCPLTZTOBC-ZNJGPPGCSA-N
Search Google for chemicals with the same backbone ZZVPHCPLTZTOBC
Search UniChem for chemical match using the InChIKey ZZVPHCPLTZTOBC-ZNJGPPGCSA-N
Search UniChem for chemicals with the same backbone ZZVPHCPLTZTOBC