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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL63660
CHEMBL63660
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H14ClN5O2

Additional synonyms for CHEMBL63660 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1c(C)n2c(Cl)c(nc2nc1OC)c3noc(C)n3
Standard InChI InChI=1S/C13H14ClN5O2/c1-5-8-6(2)19-10(14)9(11-15-7(3)21-18- ...
Download InChI
Standard InChI Key HWGXUZSFKKLJEC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL63660

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
307.7 307.0836 2.89 3 78.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 7 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.86 2.86 3 21 0.74

Structural Alerts

There are no structural alerts for CHEMBL63660

Compound Cross References

ChemSpider ChemSpider:HWGXUZSFKKLJEC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL63660



Nikkaji J420.219H
PubChem 14873530
ZINC ZINC000013822385

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