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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL191965
CHEMBL191965
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C38H46O7

Additional synonyms for CHEMBL191965 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)Oc1ccc2CC[C@H]3[C@](C)(CCC[C@]3(C)c2c1)C(=O)OC(=O)C4(C ...
Download SMILES
Standard InChI InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25 ...
Download InChI
Standard InChI Key OUJQRQRBNRGQTC-PWAHEJKMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL191965

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
614.8 614.3244 7.33 4 95.97 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 0 2 7 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 8.27 8.27 2 45 0.2

Structural Alerts

There are 13 structural alerts for CHEMBL191965. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OUJQRQRBNRGQTC-PWAHEJKMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL191965



BindingDB 50167694
PubChem 44400646

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