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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2448165
CHEMBL2448165
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H20ClN3O2

Additional synonyms for CHEMBL2448165 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]2C3CC4CN(C3)CC24
Standard InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)1 ...
Download InChI
Standard InChI Key MRKYTIJPEALHEE-YFCKSMKJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2448165

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
321.8 321.1244 1.03 3 67.59 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.54 8.43 1.34 0 1 22 0.82

Structural Alerts

There are 3 structural alerts for CHEMBL2448165. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MRKYTIJPEALHEE-YFCKSMKJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2448165



PubChem 9906777
PubChem: Thomson Pharma 14923887

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