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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1570230
CHEMBL1570230
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H14N2O4S3

Additional synonyms for CHEMBL1570230 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)C(C)Sc1nnc(SC(C)C(=O)OC)s1
Standard InChI InChI=1S/C10H14N2O4S3/c1-5(7(13)15-3)17-9-11-12-10(19-9)18-6 ...
Download InChI
Standard InChI Key AUGFICWNEFPLAO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1570230

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
322.4 322.0116 2.31 8 157.21 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.73 2.73 1 19 0.52

Structural Alerts

There are 1 structural alerts for CHEMBL1570230. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AUGFICWNEFPLAO-UHFFFAOYSA-N
PubChem SID: 857058

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1570230



eMolecules 4391401
Mcule MCULE-1246945417
MolPort MolPort-000-720-459
PubChem 658413

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