JNJ17203212   Click here for help

GtoPdb Ligand ID: 4228

Synonyms: compound 41 [PMID: 15771431] [1] | JNJ-17203212
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 61.36
Molecular weight 419.12
XLogP 3.79
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(N1CCN(CC1)c1ncccc1C(F)(F)F)Nc1ccc(cn1)C(F)(F)F
Isomeric SMILES O=C(N1CCN(CC1)c1ncccc1C(F)(F)F)Nc1ccc(cn1)C(F)(F)F
InChI InChI=1S/C17H15F6N5O/c18-16(19,20)11-3-4-13(25-10-11)26-15(29)28-8-6-27(7-9-28)14-12(17(21,22)23)2-1-5-24-14/h1-5,10H,6-9H2,(H,25,26,29)
InChI Key JFRYYGVYCWYIDQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[3-(trifluoromethyl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide
Synonyms Click here for help
compound 41 [PMID: 15771431] [1] | JNJ-17203212
Database Links Click here for help
CAS Registry No. 821768-06-3 (source: SciFinder)
ChEMBL Ligand CHEMBL254778
GtoPdb PubChem SID 178101045
PubChem CID 11339118
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Tocris
JNJ 17203212
Cat. No. 3361