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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL305388
CHEMBL305388
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H26N2O4S

Additional synonyms for CHEMBL305388 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2[C@@H](CCc2c1)[C@@H](CS)C(=O)N[C@@H](Cc3c[nH]c4ccccc ...
Download SMILES
Standard InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(1 ...
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Standard InChI Key YJSMEONIEBYZRH-SJBKTWHCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL305388

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
438.6 438.1613 3.56 8 91.42 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.48 - 2.73 -.89 3 31 0.4

Structural Alerts

There are 7 structural alerts for CHEMBL305388. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YJSMEONIEBYZRH-SJBKTWHCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL305388



BindingDB 50115848
Nikkaji J1.764.868C
PubChem 44303110
ZINC ZINC000013444210

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