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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL63628
CHEMBL63628
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H13ClN4O2S

Additional synonyms for CHEMBL63628 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNc1ccc(cn1)S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23
Standard InChI InChI=1S/C14H13ClN4O2S/c1-16-13-6-5-9(7-17-13)22(20,21)19-12 ...
Download InChI
Standard InChI Key GOLIMIWWUHVUHZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL63628

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
336.8 336.0448 3.06 4 86.88 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.65 3.98 4 3.98 3 22 0.68

Structural Alerts

There are 1 structural alerts for CHEMBL63628. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GOLIMIWWUHVUHZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL63628



Nikkaji J1.776.834D
PubChem 44306577
ZINC ZINC000026184245

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