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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

Structural Alerts

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

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

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



BindinDB 50171285
eMolecules 1883579
Guide to Pharmacology 5554
Human Metabolome Database HMDB13655
MolPort MolPort-002-052-068
PubChem 5712057
PubChem: Thomson Pharma 15348922
SureChEMBL SCHEMBL395796

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