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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1497884
CHEMBL1497884
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H13ClN4O2

Additional synonyms for CHEMBL1497884 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nn(C)c2ncc(C(=O)N)c(Oc3ccc(Cl)cc3)c12
Standard InChI InChI=1S/C15H13ClN4O2/c1-8-12-13(22-10-5-3-9(16)4-6-10)11(14 ...
Download InChI
Standard InChI Key SJZZXLIAMAIGRA-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1497884

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
316.8 316.0727 2.82 3 83.03 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.57 7.04 7.04 3 22 0.81

Structural Alerts

There are no structural alerts for CHEMBL1497884

Compound Cross References

ChemSpider ChemSpider:SJZZXLIAMAIGRA-UHFFFAOYSA-N
PubChem SID: 26728571

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1497884



eMolecules 5814774
Mcule MCULE-8530605779
MolPort MolPort-002-907-195
PubChem 2821100
ZINC ZINC000000149626

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