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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL22673
CHEMBL22673
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H37N3O3S

Additional synonyms for CHEMBL22673 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)N(C1CCCCC1)S(=O)(=O)NC(=O)Nc2c(cccc2C(C)C)C(C)C
Standard InChI InChI=1S/C22H37N3O3S/c1-15(2)19-13-10-14-20(16(3)4)21(19)23- ...
Download InChI
Standard InChI Key JPLKRWMEZJTOPY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL22673

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
423.6 423.2556 5.34 7 78.51 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 1 6 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.66 1.4 4.59 3.04 1 29 0.62

Structural Alerts

There are 2 structural alerts for CHEMBL22673. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JPLKRWMEZJTOPY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL22673



BindingDB 50050293
IBM Patent System 6BD5B861C8CFC375636EB418839F5091
Nikkaji J739.767D
PubChem 10550229
PubChem: Thomson Pharma 15577288
SureChEMBL SCHEMBL7570121
ZINC ZINC000013747401

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