CCP   Click here for help

GtoPdb Ligand ID: 5161

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 16
Topological polar surface area 29.1
Molecular weight 337.33
XLogP 9.23
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCCCCCCCCNC(=O)C1CCCCC1
Isomeric SMILES CCCCCCCCCCCCCCCNC(=O)C1CCCCC1
InChI InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-22(24)21-18-15-14-16-19-21/h21H,2-20H2,1H3,(H,23,24)
InChI Key VMFXYTSKMWPHQH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-pentadecylcyclohexanecarboxamide
Database Links Click here for help
ChEMBL Ligand CHEMBL190662
GtoPdb PubChem SID 178101852
PubChem CID 44398718
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