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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL60183
CHEMBL60183
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H30N2O3S2

Additional synonyms for CHEMBL60183 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCO[C@@H]1CC[C@@](CS)(CC1)C(=O)N[C@@H](Cc2cccs2)C(=O)Nc3cccc ...
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Standard InChI InChI=1S/C23H30N2O3S2/c1-2-28-18-10-12-23(16-29,13-11-18)22( ...
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Standard InChI Key YIYARPRQBQBDKN-GREBRCKQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL60183

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
446.6 446.1698 4.31 9 67.43 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.34 .38 3.75 3.75 2 30 0.5

Structural Alerts

There are 8 structural alerts for CHEMBL60183. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YIYARPRQBQBDKN-GREBRCKQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL60183



BindingDB 50073894
IBM Patent System C37AB926E36E4BFD760ACAA0E574503B
SureChEMBL SCHEMBL7985730
ZINC ZINC000100821454

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