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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL270218
CHEMBL270218
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H12ClN3S2

Additional synonyms for CHEMBL270218 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CSc1nc2c(Nc3ccc(Cl)cc3)c4ccccc4nc2s1
Standard InChI InChI=1S/C17H12ClN3S2/c1-22-17-21-15-14(19-11-8-6-10(18)7-9- ...
Download InChI
Standard InChI Key MTGZXTJXMICTLQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL270218

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
357.9 357.0161 5.6 3 91.35 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 1 3 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.57 5.63 5.63 4 23 0.48

Structural Alerts

There are 1 structural alerts for CHEMBL270218. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MTGZXTJXMICTLQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL270218



BindingDB 50227945
PubChem 44456311
ZINC ZINC000029131239

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