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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1571951
CHEMBL1571951
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H10ClN5O2S2

Additional synonyms for CHEMBL1571951 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=NN=C2SC(=NN2C1=O)SCC(=O)Nc3ccc(Cl)cc3
Standard InChI InChI=1S/C13H10ClN5O2S2/c1-7-11(21)19-12(17-16-7)23-13(18-19 ...
Download InChI
Standard InChI Key UUERJPOJXCYGHZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1571951

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
367.8 366.9964 2.24 4 89.25 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.29 - 3 3 3 23 0.71

Structural Alerts

There are no structural alerts for CHEMBL1571951

Compound Cross References

ChemSpider ChemSpider:UUERJPOJXCYGHZ-UHFFFAOYSA-N
PubChem SID: 24779470

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1571951



eMolecules 5527443
Mcule MCULE-5030837344
MolPort MolPort-003-079-657
PubChem 7197230
ZINC ZINC000004338839

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