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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2424693
CHEMBL2424693
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14N4OS

Additional synonyms for CHEMBL2424693 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)N2N=C3CSCC=C3C(=C2N)C#N
Standard InChI InChI=1S/C15H14N4OS/c1-20-11-4-2-10(3-5-11)19-15(17)13(8-16) ...
Download InChI
Standard InChI Key DWVQKFPAFJRZDD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2424693

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
298.4 298.0888 2.24 2 74.64 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.16 2.48 2.48 1 21 0.91

Structural Alerts

There are no structural alerts for CHEMBL2424693

Compound Cross References

ChemSpider ChemSpider:DWVQKFPAFJRZDD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2424693



PubChem 73350775
ZINC ZINC000013838639

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