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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1221590
CHEMBL1221590
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H22N2O3S

Additional synonyms for CHEMBL1221590 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(Cc1ccccc1)NC[C@H](O)c2ccc(O)c3NC(=O)Sc23
Standard InChI InChI=1S/C19H22N2O3S/c1-19(2,10-12-6-4-3-5-7-12)20-11-15(23) ...
Download InChI
Standard InChI Key GTTZQULJQRNNER-HNNXBMFYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1221590

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
358.5 358.1351 2.94 6 85.35 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 9.44 3.08 1.19 3 25 0.55

Structural Alerts

There are 2 structural alerts for CHEMBL1221590. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GTTZQULJQRNNER-HNNXBMFYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1221590



BindingDB 50324847
IBM Patent System C0267D14DA0FC65BBC72F0F5A4BE576D
PubChem 11617407
PubChem: Thomson Pharma 16720328
SureChEMBL SCHEMBL3836158
ZINC ZINC000035942289

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