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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1720437
CHEMBL1720437
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15ClN2O2S

Additional synonyms for CHEMBL1720437 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCCSc1ccccc1C(=O)Nc2ccc(Cl)cn2
Standard InChI InChI=1S/C15H15ClN2O2S/c1-20-8-9-21-13-5-3-2-4-12(13)15(19)1 ...
Download InChI
Standard InChI Key YRHXYZPJMZPLHW-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1720437

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
322.8 322.0543 3.73 6 51.22 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
10.89 1.34 1.92 1.92 2 21 0.65

Structural Alerts

There are 1 structural alerts for CHEMBL1720437. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YRHXYZPJMZPLHW-UHFFFAOYSA-N
PubChem SID: 17433074

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1720437



eMolecules 2032987
Mcule MCULE-6000855014
MolPort MolPort-001-636-027
PubChem 1803128
ZINC ZINC000002153574

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