SR57227A   Click here for help

GtoPdb Ligand ID: 4316

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 1
Topological polar surface area 42.15
Molecular weight 211.09
XLogP 2.31
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC1CCN(CC1)c1cccc(n1)Cl
Isomeric SMILES NC1CCN(CC1)c1cccc(n1)Cl
InChI InChI=1S/C10H14ClN3/c11-9-2-1-3-10(13-9)14-6-4-8(12)5-7-14/h1-3,8H,4-7,12H2
InChI Key WPVVMKYQOMJPIN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-(6-chloropyridin-2-yl)piperidin-4-amine
Database Links Click here for help
CAS Registry No. 77145-51-8 (source: Scifinder)
ChEMBL Ligand CHEMBL90472
GtoPdb PubChem SID 178101133
PubChem CID 131747
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Wikipedia SR-57227