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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3236270
CHEMBL3236270
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H34N2O2S

Additional synonyms for CHEMBL3236270 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [11CH3]N(C)CCCCCCCCSc1nc(ccc1C(=O)c2occc2)C(C)C
Standard InChI InChI=1S/C23H34N2O2S/c1-18(2)20-14-13-19(22(26)21-12-11-16-2 ...
Download InChI
Standard InChI Key SMSADWUAETZEMG-KTXUZGJCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3236270

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
402.6 402.2341 6.02 13 46.34 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 1 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.77 4.84 2.54 2 28 0.23

Structural Alerts

There are 8 structural alerts for CHEMBL3236270. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SMSADWUAETZEMG-KTXUZGJCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3236270



BindingDB 50005864
PubChem 90654963

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