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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL465598
CHEMBL465598
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H47KO3

Additional synonyms for CHEMBL465598 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [K+].CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O ...
Download SMILES
Standard InChI InChI=1S/C30H48O3.K/c1-25(2)14-16-30(24(32)33)17-15-28(6)19( ...
Download InChI
Standard InChI Key OUKLXPNOEIANAH-RLFONNADSA-M

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL465598

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
456.7 456.3603 7.23 1 57.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 1 3 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.64 - 8.58 5.86 0 33 0.41

Structural Alerts

There are 1 structural alerts for CHEMBL465598. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OUKLXPNOEIANAH-RLFONNADSA-M

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL465598



PubChem 44584087
PubChem: Thomson Pharma 104230800

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/OUKLXPNOEIANAH-RLFONNADSA-M spacer
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