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GtoPdb Ligand ID: 974

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 0
Rotatable bonds 3
Topological polar surface area 23.78
Molecular weight 326.13
XLogP 3.84
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(cc1)N1CCN(CC1)Cc1cc2n(n1)cccc2
Isomeric SMILES Clc1ccc(cc1)N1CCN(CC1)Cc1cc2n(n1)cccc2
InChI InChI=1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)14-16-13-18-3-1-2-8-23(18)20-16/h1-8,13H,9-12,14H2
InChI Key DTRXURJDKOYCCD-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
Database Links Click here for help
BindingDB Ligand 50102712
CAS Registry No. 337972-47-1 (source: Scifinder)
ChEMBL Ligand CHEMBL310843
GtoPdb PubChem SID 135650253
PubChem CID 10336538
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