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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL325736
CHEMBL325736
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H23NO4

Additional synonyms for CHEMBL325736 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)C(=O)COCCCCOc1ccc(cc1)c2ccccc2
Standard InChI InChI=1S/C20H23NO4/c1-21-20(23)19(22)15-24-13-5-6-14-25-18-1 ...
Download InChI
Standard InChI Key NCIIPICHSOLLIE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL325736

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
341.4 341.1627 2.84 10 64.63 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.1 - 3.54 3.54 2 25 0.53

Structural Alerts

There are 9 structural alerts for CHEMBL325736. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NCIIPICHSOLLIE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL325736



BindingDB 50221808
Nikkaji J2.033.149F
PubChem 44341102
SureChEMBL SCHEMBL7370068
ZINC ZINC000013553322

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