ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1572130
CHEMBL1572130
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H13N3O2S

Additional synonyms for CHEMBL1572130 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(NC(=S)NC(=O)c2ccccc2)cn1
Standard InChI InChI=1S/C14H13N3O2S/c1-19-12-8-7-11(9-15-12)16-14(20)17-13( ...
Download InChI
Standard InChI Key VJPFOXARDAFIMI-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1572130

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
287.3 287.0728 2.22 3 63.25 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.23 2.59 2.25 2.18 2 20 0.85

Structural Alerts

There are 5 structural alerts for CHEMBL1572130. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VJPFOXARDAFIMI-UHFFFAOYSA-N
PubChem SID: 49827980

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1572130



eMolecules 27510867
Mcule MCULE-4915577425
MolPort MolPort-002-842-057
PubChem 849673
ZINC ZINC000000384218

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