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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL380385
CHEMBL380385
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H10Cl2N2S

Additional synonyms for CHEMBL380385 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(Sc2cccc(n2)c3ccccn3)cc1Cl
Standard InChI InChI=1S/C16H10Cl2N2S/c17-12-8-7-11(10-13(12)18)21-16-6-3-5- ...
Download InChI
Standard InChI Key JNJVCRPXDNJVBK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL380385

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
333.2 331.9942 5.6 3 25.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 1 2 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.79 4.48 4.48 3 21 0.62

Structural Alerts

There are no structural alerts for CHEMBL380385

Compound Cross References

ChemSpider ChemSpider:JNJVCRPXDNJVBK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL380385



PubChem 44410512
ZINC ZINC000040763482

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