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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2376312
CHEMBL2376312
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H20ClN3O4S

Additional synonyms for CHEMBL2376312 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC1(C)NC(=O)c2cc(ccc2N(C)C1=O)S(=O)(=O)Nc3ccc(Cl)cc3
Standard InChI InChI=1S/C19H20ClN3O4S/c1-4-19(2)18(25)23(3)16-10-9-14(11-15 ...
Download InChI
Standard InChI Key BWADCEZQHAZYFA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2376312

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
421.9 421.0863 3.02 4 95.58 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.94 - 2.79 2.7 2 28 0.79

Structural Alerts

There are 1 structural alerts for CHEMBL2376312. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BWADCEZQHAZYFA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2376312



BindingDB 50433278
PubChem 71603211
PubChem: Thomson Pharma 163684513

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