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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2420876
CHEMBL2420876
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H16ClNO2

Additional synonyms for CHEMBL2420876 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)N(C)c2cc(Cl)ccc2CO
Standard InChI InChI=1S/C15H16ClNO2/c1-17(13-5-7-14(19-2)8-6-13)15-9-12(16) ...
Download InChI
Standard InChI Key QZGXGAIVITUVSU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2420876

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
277.8 277.087 3.61 4 32.7 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .45 3.49 3.49 2 19 0.93

Structural Alerts

There are no structural alerts for CHEMBL2420876

Compound Cross References

ChemSpider ChemSpider:QZGXGAIVITUVSU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2420876



PubChem 72374822

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