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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL201490
CHEMBL201490
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H16ClNO4S

Additional synonyms for CHEMBL201490 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)c1[nH]c2ccc(Cl)cc2c1Sc3cc(OC)cc(OC)c3
Standard InChI InChI=1S/C18H16ClNO4S/c1-22-11-7-12(23-2)9-13(8-11)25-17-14- ...
Download InChI
Standard InChI Key SLDXDWUAXRKFSR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL201490

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
377.9 377.0489 4.78 5 60.55 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.76 - 4.2 4.2 3 25 0.65

Structural Alerts

There are 1 structural alerts for CHEMBL201490. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SLDXDWUAXRKFSR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL201490



PubChem 11588932
PubChem: Thomson Pharma 16691446
ZINC ZINC000013680316

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