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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL417210
CHEMBL417210
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H31N3O3S

Additional synonyms for CHEMBL417210 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](Cc2ccccc2)C(=O)Nc3ccc ...
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Standard InChI InChI=1S/C24H31N3O3S/c1-2-30-19-11-13-24(17-31,14-12-19)23(2 ...
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Standard InChI Key FXNYDEZGSYNFJK-MZLICYQSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL417210

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
441.6 441.2086 3.64 9 80.32 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.34 3.28 2.99 2.99 2 31 0.52

Structural Alerts

There are 8 structural alerts for CHEMBL417210. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FXNYDEZGSYNFJK-MZLICYQSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL417210



BindingDB 50073902
IBM Patent System 72BC5297152424FCE7468A943B708C46
SureChEMBL SCHEMBL7985721
ZINC ZINC000100025051

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