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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1497363
CHEMBL1497363
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H13N3O3S2

Additional synonyms for CHEMBL1497363 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)c1sc(NC(=S)NC(=O)c2ccccc2)nc1C
Standard InChI InChI=1S/C14H13N3O3S2/c1-8-10(12(19)20-2)22-14(15-8)17-13(21 ...
Download InChI
Standard InChI Key PNZRQKZMGXHRES-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1497363

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
335.4 335.0398 2.36 3 80.32 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.89 1.41 1.85 1.7 2 22 0.66

Structural Alerts

There are 7 structural alerts for CHEMBL1497363. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PNZRQKZMGXHRES-UHFFFAOYSA-N
PubChem SID: 22415640

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1497363



eMolecules 2395638
Mcule MCULE-8627143747
MolPort MolPort-002-199-684
PubChem 1497846
ZINC ZINC000001415114

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