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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2178252
CHEMBL2178252
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H13ClN6O

Additional synonyms for CHEMBL2178252 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)c4cccc(Cl)c4
Standard InChI InChI=1S/C17H13ClN6O/c1-23-10-14(15(22-23)11-4-2-5-12(18)8-1 ...
Download InChI
Standard InChI Key QOQWGXFCUOWNQI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2178252

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
352.8 352.0839 3.04 3 77.11 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.68 .26 3.67 3.65 4 25 0.61

Structural Alerts

There are no structural alerts for CHEMBL2178252

Compound Cross References

ChemSpider ChemSpider:QOQWGXFCUOWNQI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2178252



BindingDB 50399010
PubChem 66850717
PubChem: Thomson Pharma 163503547
SureChEMBL SCHEMBL941221
ZINC ZINC000095574455

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