LY 165,163   Click here for help

GtoPdb Ligand ID: 18

Synonyms: LY-165163 | PAPP
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 1
Rotatable bonds 5
Topological polar surface area 32.5
Molecular weight 349.18
XLogP 3.97
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Nc1ccc(cc1)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Isomeric SMILES Nc1ccc(cc1)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F
InChI InChI=1S/C19H22F3N3/c20-19(21,22)16-2-1-3-18(14-16)25-12-10-24(11-13-25)9-8-15-4-6-17(23)7-5-15/h1-7,14H,8-13,23H2
InChI Key GAAKALASJNGQKD-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]aniline
Synonyms Click here for help
LY-165163 | PAPP
Database Links Click here for help
CAS Registry No. 1814-64-8
ChEMBL Ligand CHEMBL1256693
GtoPdb PubChem SID 135650543
PubChem CID 121930
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