[3H]NLX-112   Click here for help

GtoPdb Ligand ID: 3925

Synonyms: [3H]F13640
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 45.23
Molecular weight 393.14
XLogP 3.72
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1ccc(nc1)CNCC1(F)CCN(CC1)C(=O)c1ccc(c(c1)Cl)F
Isomeric SMILES Cc1ccc(nc1)CNCC1(F)CCN(CC1)C(=O)c1ccc(c(c1)Cl)F
InChI InChI=1S/C20H22ClF2N3O/c1-14-2-4-16(25-11-14)12-24-13-20(23)6-8-26(9-7-20)19(27)15-3-5-18(22)17(21)10-15/h2-5,10-11,24H,6-9,12-13H2,1H3
InChI Key PKZXLMVXBZICTF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone
International Nonproprietary Names Click here for help
INN number INN
8953 befiradol
Synonyms Click here for help
[3H]F13640
Database Links Click here for help
ChEMBL Ligand CHEMBL45305
GtoPdb PubChem SID 178100754
PubChem CID 9865384
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Wikipedia Befiradol