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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2333812
CHEMBL2333812
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C37H41NO10S

Additional synonyms for CHEMBL2333812 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CSc1ccc(cc1)C(=O)O[C@H]2C[C@H]3[C@](C)(COC(=O)C)[C@H](CC[C@] ...
Download SMILES
Standard InChI InChI=1S/C37H41NO10S/c1-20(39)44-19-36(4)27-17-29(47-33(42)2 ...
Download InChI
Standard InChI Key UXKJLOHIXKUDBA-ZRPSWOMSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2333812

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
691.8 691.2451 5.77 7 151.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 1 3 11 1 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.62 5.01 6.6 6.6 3 49 0.18

Structural Alerts

There are 4 structural alerts for CHEMBL2333812. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UXKJLOHIXKUDBA-ZRPSWOMSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2333812



BindingDB 50429597
Brenda 210073
PubChem 71560926
PubChem: Thomson Pharma 163561195
ZINC ZINC000095587650

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