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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1221683
CHEMBL1221683
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H26N2O3S

Additional synonyms for CHEMBL1221683 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H](CN[C@@H]1CCC[C@H]1C2CCCC2)c3ccc(O)c4NC(=O)Sc34
Standard InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)1 ...
Download InChI
Standard InChI Key LMKMYJGZBLESNG-BJJXKVORSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1221683

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
362.5 362.1664 3.65 5 106.89 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.34 9.34 3.54 1.53 1 25 0.6

Structural Alerts

There are 2 structural alerts for CHEMBL1221683. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LMKMYJGZBLESNG-BJJXKVORSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1221683



BindingDB 50324857
PubChem 49864397
ZINC ZINC000058583031

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