CP-226269   Click here for help

GtoPdb Ligand ID: 973

Synonyms: CP 226269 | CP-226,269 | CP226269
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 3
Topological polar surface area 35.16
Molecular weight 310.16
XLogP 3.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc2c(c1)cc([nH]2)CN1CCN(CC1)c1ccccn1
Isomeric SMILES Fc1ccc2c(c1)cc([nH]2)CN1CCN(CC1)c1ccccn1
InChI InChI=1S/C18H19FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11-12,21H,7-10,13H2
InChI Key PQOIDBZLMJMYCD-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole
Synonyms Click here for help
CP 226269 | CP-226,269 | CP226269
Database Links Click here for help
BindingDB Ligand 50145073
CAS Registry No. 220941-93-5 (source: Scifinder)
ChEMBL Ligand CHEMBL77395
GtoPdb PubChem SID 135650125
PubChem CID 9796720
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Wikipedia CP-226,269