ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL365544
CHEMBL365544
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C34H43NO4

Additional synonyms for CHEMBL365544 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc3ccc(O)cc23)C(=O)NC(=O)C4(C)CCC ...
Download SMILES
Standard InChI InChI=1S/C34H43NO4/c1-31-15-5-17-33(3,27(31)13-9-21-7-11-23( ...
Download InChI
Standard InChI Key ASTLYMNMTDERKI-IMUKZWIGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL365544

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
529.7 529.3192 6.46 2 86.63 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 2 5 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.97 - 6.38 6.38 2 39 0.39

Structural Alerts

There are 3 structural alerts for CHEMBL365544. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ASTLYMNMTDERKI-IMUKZWIGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL365544



BindingDB 50167697
PubChem 44400748

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