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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1307919
CHEMBL1307919
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H14N4OS2

Additional synonyms for CHEMBL1307919 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)Nc3ncc(C)s3
Standard InChI InChI=1S/C14H14N4OS2/c1-6-4-7(2)17-13-9(6)10(15)11(21-13)12( ...
Download InChI
Standard InChI Key GCLBEAOIOHIRFO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1307919

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
318.4 318.0609 3.51 2 80.9 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.49 7.7 3.48 1.51 3 21 0.76

Structural Alerts

There are 2 structural alerts for CHEMBL1307919. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GCLBEAOIOHIRFO-UHFFFAOYSA-N
PubChem SID: 14720977

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1307919



BindingDB 48199
eMolecules 6463901
Mcule MCULE-1583611596
PubChem 866034
ZINC ZINC000000422680

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