olvanil   Click here for help

GtoPdb Ligand ID: 2488

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 19
Topological polar surface area 58.56
Molecular weight 417.32
XLogP 8.93
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCC=CCCCCCCCC(=O)NCc1ccc(c(c1)OC)O
Isomeric SMILES CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccc(c(c1)OC)O
InChI InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h10-11,19-21,28H,3-9,12-18,22H2,1-2H3,(H,27,29)/b11-10-
InChI Key OPZKBPQVWDSATI-KHPPLWFESA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide
International Nonproprietary Names Click here for help
INN number INN
5893 olvanil
Database Links Click here for help
BindingDB Ligand 20460
CAS Registry No. 58493-49-5 (source: Scifinder)
ChEMBL Ligand CHEMBL76903
GtoPdb PubChem SID 135650758
PubChem CID 5311093
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Tocris
Olvanil
Cat. No. 0934