CP-195543

Ligand id: 6155

Name: CP-195543

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 66.76
Molecular weight 428.12
XLogP 7.82
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(3S,4R)-4-hydroxy-3-(phenylmethyl)chroman-7-yl]-4-(trifluoromethyl)benzoic acid
Synonyms
CP 195543 | CP195543
Database Links
CAS Registry No. 204981-48-6 (source: Scifinder)
ChEMBL Ligand CHEMBL301829
GtoPdb PubChem SID 178102776
PubChem CID 9823886
Search Google for chemical match using the InChIKey NZQDWKCNBOELAI-KSFYIVLOSA-N
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Search UniChem for chemical match using the InChIKey NZQDWKCNBOELAI-KSFYIVLOSA-N
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