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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2425740
CHEMBL2425740
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H10Cl2N4O4

Additional synonyms for CHEMBL2425740 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c3cc(nn13)C(=O)O
Standard InChI InChI=1S/C15H10Cl2N4O4/c1-25-12-3-2-7(11-4-10(15(23)24)20-21 ...
Download InChI
Standard InChI Key GZXOWOHQIVJXEJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2425740

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
381.2 380.0079 3 4 105.82 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-5.1 2.17 .67 -3.34 3 25 0.72

Structural Alerts

There are no structural alerts for CHEMBL2425740

Compound Cross References

ChemSpider ChemSpider:GZXOWOHQIVJXEJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2425740



IBM Patent System A7A7B84E1F623A4EFDE474F81400B4EA
PubChem 59227400
SureChEMBL SCHEMBL3207572
ZINC ZINC000096933198

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