A-935142   Click here for help

GtoPdb Ligand ID: 7661

Synonyms: A 935142 | A935142
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 65.98
Molecular weight 352.14
XLogP 5.56
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)c1cc([nH]n1)C(F)(F)F
Isomeric SMILES OC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1cc([nH]n1)C(F)(F)F
InChI InChI=1S/C18H19F3N2O2/c19-18(20,21)16-10-15(22-23-16)14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-17(24)25/h5-8,10-12H,1-4,9H2,(H,22,23)(H,24,25)/t11-,12-
InChI Key YPHFQSYEKIEMNC-HAQNSBGRSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetic acid
Synonyms Click here for help
A 935142 | A935142
Database Links Click here for help
CAS Registry No. 1031335-85-9 (source: Scifinder)
GtoPdb PubChem SID 223365996
PubChem CID 25125452
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