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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2376311
CHEMBL2376311
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H21N3O4S

Additional synonyms for CHEMBL2376311 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)N(C)c3ccccc3
Standard InChI InChI=1S/C19H21N3O4S/c1-4-19(2)18(24)20-16-11-10-14(12-15(16 ...
Download InChI
Standard InChI Key NQSMOCNVMGUHFS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2376311

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
387.5 387.1253 2.36 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
12.16 - .72 .72 2 27 0.84

Structural Alerts

There are 1 structural alerts for CHEMBL2376311. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NQSMOCNVMGUHFS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2376311



BindingDB 50433279
Brenda 209987
PubChem 71603210
PubChem: Thomson Pharma 163684512

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