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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1582340
CHEMBL1582340
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15NOS

Additional synonyms for CHEMBL1582340 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(CNC(=O)\C=C\c2cccs2)cc1
Standard InChI InChI=1S/C15H15NOS/c1-12-4-6-13(7-5-12)11-16-15(17)9-8-14-3- ...
Download InChI
Standard InChI Key MCKNEKIYWFXGCV-CMDGGOBGSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1582340

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
257.4 257.0874 3.53 4 57.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.65 - 3.53 3.53 2 18 0.84

Structural Alerts

There are 3 structural alerts for CHEMBL1582340. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MCKNEKIYWFXGCV-CMDGGOBGSA-N
PubChem SID: 22416167

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1582340



eMolecules 25950854
Mcule MCULE-4027919753
MolPort MolPort-001-501-027
PubChem 897829
ZINC ZINC000000475622

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