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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL372987
CHEMBL372987
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H14ClNO3S

Additional synonyms for CHEMBL372987 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)c1[nH]c2ccc(Cl)cc2c1Sc3ccccc3OC
Standard InChI InChI=1S/C17H14ClNO3S/c1-21-13-5-3-4-6-14(13)23-16-11-9-10(1 ...
Download InChI
Standard InChI Key WSBNPQJYQJSVSB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL372987

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
347.8 347.0383 4.77 4 51.32 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.97 - 3.72 3.72 3 23 0.69

Structural Alerts

There are 1 structural alerts for CHEMBL372987. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WSBNPQJYQJSVSB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL372987



IBM Patent System 1B2CAB50A42AF685767AD01FB872A13C
PubChem 11501135
PubChem: Thomson Pharma 16603087
SureChEMBL SCHEMBL5811812

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