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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL393943
CHEMBL393943
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H40N2O2

Additional synonyms for CHEMBL393943 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12
Standard InChI InChI=1S/C28H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16- ...
Download InChI
Standard InChI Key MAFMPVLBSWXLHL-PDBXOOCHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL393943

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
436.6 436.309 7.12 16 65.12 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 3 1 4 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.08 - 7.11 7.11 2 32 0.19

Structural Alerts

There are 7 structural alerts for CHEMBL393943. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MAFMPVLBSWXLHL-PDBXOOCHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL393943



BindingDB 22989
PubChem 24749162
PubChem: Thomson Pharma 49651288
ZINC ZINC000014979686

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