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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL63510
CHEMBL63510
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H13NO4S

Additional synonyms for CHEMBL63510 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)Nc1ccc2C(=O)c3ccc(C)cc3S(=O)(=O)c2c1
Standard InChI InChI=1S/C16H13NO4S/c1-9-3-5-12-14(7-9)22(20,21)15-8-11(17-1 ...
Download InChI
Standard InChI Key DHAQHPQWIZMARH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL63510

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
315.4 315.0565 2.33 1 80.31 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.7 - 2.71 2.71 2 22 0.75

Structural Alerts

There are 1 structural alerts for CHEMBL63510. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DHAQHPQWIZMARH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL63510



BindingDB 50038941
PubChem 10470959
PubChem: Thomson Pharma 15494242
ZINC ZINC000013737656

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