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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL556193
CHEMBL556193
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H23ClN2O2

Additional synonyms for CHEMBL556193 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CN1CC2CCC1CC(C2)OC(=O)c3c[nH]c4ccccc34
Standard InChI InChI=1S/C18H22N2O2.ClH/c1-20-11-12-6-7-13(20)9-14(8-12)22-1 ...
Download InChI
Standard InChI Key XLBHCRRETICNNF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL556193

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
298.4 298.1681 3.2 2 45.33 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.15 3.75 1.98 2 22 0.87

Structural Alerts

There are 1 structural alerts for CHEMBL556193. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XLBHCRRETICNNF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL556193



PubChem 45265718

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XLBHCRRETICNNF-UHFFFAOYSA-N spacer
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