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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2376327
CHEMBL2376327
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H18ClN3O4S

Additional synonyms for CHEMBL2376327 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc3ccccc3Cl
Standard InChI InChI=1S/C18H18ClN3O4S/c1-3-18(2)17(24)20-14-9-8-11(10-12(14 ...
Download InChI
Standard InChI Key NFKXWXGBYYQURZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2376327

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
407.9 407.0707 2.99 4 104.37 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.7 - 2.7 2.54 2 27 0.72

Structural Alerts

There are 1 structural alerts for CHEMBL2376327. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NFKXWXGBYYQURZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2376327



BindingDB 50433271
Brenda 209976
PubChem 71603095
PubChem: Thomson Pharma 163684374

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