ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2380416
CHEMBL2380416
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H21NO

Additional synonyms for CHEMBL2380416 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c4ccccc14
Standard InChI InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)2 ...
Download InChI
Standard InChI Key VCHHHSMPMLNVGS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2380416

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
327.4 327.1623 5.97 5 22 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 1 2 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 6.35 6.35 4 25 0.41

Structural Alerts

There are 1 structural alerts for CHEMBL2380416. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VCHHHSMPMLNVGS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2380416



BindingDB 85804
eMolecules 27345104
EPA CompTox Dashboard DTXSID20175042
FDA SRS BBX3BP2772
MolPort MolPort-009-019-434
Nikkaji J2.856.750B
PubChem 10471670
PubChem: Thomson Pharma 15495044
SureChEMBL SCHEMBL11983320
ZINC ZINC000038928174

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