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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1719722
CHEMBL1719722
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H22Cl2N2O2S

Additional synonyms for CHEMBL1719722 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(Cc1cccc(Cl)c1Cl)C(=O)c2ccccc2SCC(=O)N3CCCC3
Standard InChI InChI=1S/C21H22Cl2N2O2S/c1-24(13-15-7-6-9-17(22)20(15)23)21( ...
Download InChI
Standard InChI Key IAVZPHLGOXDIHW-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1719722

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
437.4 436.0779 4.98 6 40.62 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.17 2.17 2 28 0.6

Structural Alerts

There are no structural alerts for CHEMBL1719722

Compound Cross References

ChemSpider ChemSpider:IAVZPHLGOXDIHW-UHFFFAOYSA-N
PubChem SID: 57258865

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1719722



Mcule MCULE-3303844553
MolPort MolPort-009-489-706
PubChem 25162827
ZINC ZINC000032960987

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