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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1307240
CHEMBL1307240
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H12Cl2N2O2S

Additional synonyms for CHEMBL1307240 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)Nc2ccc(cc2)n3cccc3
Standard InChI InChI=1S/C16H12Cl2N2O2S/c17-12-3-8-16(15(18)11-12)23(21,22)1 ...
Download InChI
Standard InChI Key DPNSRHNESSLCEZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1307240

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
367.3 365.9997 4.58 4 51.1 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.53 - 4.27 3.38 3 23 0.73

Structural Alerts

There are 1 structural alerts for CHEMBL1307240. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DPNSRHNESSLCEZ-UHFFFAOYSA-N
PubChem SID: 17410235

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1307240



BindingDB 76316
eMolecules 4863966
IBM Patent System 03A7BE2523650FDFB6DE293DAEFA38A0
Mcule MCULE-5103053032
MolPort MolPort-002-855-534
PubChem 2768244
SureChEMBL SCHEMBL4875332
ZINC ZINC000003997383

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