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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL279018
CHEMBL279018
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H11N7O3

Additional synonyms for CHEMBL279018 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1cn2c3Cc4c(Cc5nn[nH]n5)cccc4c3nc(O)c2n1
Standard InChI InChI=1S/C16H11N7O3/c24-15-14-17-10(16(25)26)6-23(14)11-5-9- ...
Download InChI
Standard InChI Key QDWILIOJTHGVHN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL279018

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
349.3 349.0923 0.81 3 142.18 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 0 10 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.99 8.31 .53 -3.98 4 26 0.43

Structural Alerts

There are no structural alerts for CHEMBL279018

Compound Cross References

ChemSpider ChemSpider:QDWILIOJTHGVHN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL279018



BindingDB 50096280
Nikkaji J1.486.862C
PubChem 44275458
ZINC ZINC000028760401

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