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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2376329
CHEMBL2376329
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H21N3O5S

Additional synonyms for CHEMBL2376329 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc3ccc(OC)cc3
Standard InChI InChI=1S/C19H21N3O5S/c1-4-19(2)18(24)20-16-10-9-14(11-15(16) ...
Download InChI
Standard InChI Key MDMMWSVMDMOFFW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2376329

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
403.5 403.1202 2.35 5 113.6 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.72 - 2.2 2.18 2 28 0.71

Structural Alerts

There are 1 structural alerts for CHEMBL2376329. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MDMMWSVMDMOFFW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2376329



BindingDB 50433270
Brenda 209978
PubChem 71603097
PubChem: Thomson Pharma 163684376

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