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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1492263
CHEMBL1492263
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H17NO3S

Additional synonyms for CHEMBL1492263 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)c1cc(CC)sc1NC(=O)C2CC2
Standard InChI InChI=1S/C13H17NO3S/c1-3-9-7-10(13(16)17-4-2)12(18-9)14-11(1 ...
Download InChI
Standard InChI Key FHAOLQDTLWBADQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1492263

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
267.4 267.0929 2.84 5 55.4 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
- - 3.21 3.21 1 18 0.83

Structural Alerts

There are 1 structural alerts for CHEMBL1492263. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FHAOLQDTLWBADQ-UHFFFAOYSA-N
PubChem SID: 857471

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1492263



eMolecules 1476419
Mcule MCULE-5779063427
MolPort MolPort-002-003-411
PubChem 658822
ZINC ZINC000000266455

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