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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL187349
CHEMBL187349
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H37NO2

Additional synonyms for CHEMBL187349 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCCN
Standard InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-1 ...
Download InChI
Standard InChI Key DLHLOYYQQGSXCC-DOFZRALJSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL187349

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
347.5 347.2824 5.84 17 52.32 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.68 6.9 6.44 0 25 0.2

Structural Alerts

There are 6 structural alerts for CHEMBL187349. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DLHLOYYQQGSXCC-DOFZRALJSA-N
PubChem SID: 26755771 SID: 29216410
Wikipedia Virodhamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL187349



BindingDB 50171285
eMolecules 1883579
Guide to Pharmacology 5554
Human Metabolome Database HMDB13655
LipidMaps LMFA00000014
MolPort MolPort-002-052-068
Nikkaji J2.296.725H
PubChem 5712057
PubChem: Thomson Pharma 15348922
SureChEMBL SCHEMBL395796
ZINC ZINC000013816329

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