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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL304779
CHEMBL304779
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15ClN2O2

Additional synonyms for CHEMBL304779 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(C)c(COC(=O)c2ccc(Cl)cc2)nc1C
Standard InChI InChI=1S/C15H15ClN2O2/c1-9-10(2)18-14(11(3)17-9)8-20-15(19)1 ...
Download InChI
Standard InChI Key NUQGCOWPCIVZQP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL304779

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
290.7 290.0822 2.69 4 52.08 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.78 3.18 3.18 2 20 0.81

Structural Alerts

There are 1 structural alerts for CHEMBL304779. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NUQGCOWPCIVZQP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL304779



Nikkaji J2.017.232K
PubChem 44307294
ZINC ZINC000026252203

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