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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2338718
CHEMBL2338718
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H39NO4

Additional synonyms for CHEMBL2338718 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CCc4ccccc4)[C@H]5Cc6ccc(O)c ...
Download SMILES
Standard InChI InChI=1S/C32H39NO4/c1-36-32-14-13-30(18-23(32)24(34)11-9-20- ...
Download InChI
Standard InChI Key LPZQCVYGXQRQQM-SSJILJQQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2338718

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
501.7 501.2879 4.61 7 62.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 1 5 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.42 8.09 3.1 2.32 2 37 0.58

Structural Alerts

There are no structural alerts for CHEMBL2338718

Compound Cross References

ChemSpider ChemSpider:LPZQCVYGXQRQQM-SSJILJQQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2338718



BindingDB 50430615
PubChem 71625149
ZINC ZINC000095585927

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