CYM5442   Click here for help

GtoPdb Ligand ID: 2928

Synonyms: CYM-5442
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 89.64
Molecular weight 409.2
XLogP 3.62
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCCNC1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)OCC)OCC
Isomeric SMILES OCCNC1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)OCC)OCC
InChI InChI=1S/C23H27N3O4/c1-3-28-20-11-8-15(14-21(20)29-4-2)23-25-22(26-30-23)18-7-5-6-17-16(18)9-10-19(17)24-12-13-27/h5-8,11,14,19,24,27H,3-4,9-10,12-13H2,1-2H3
InChI Key NUIKTBLZSPQGCP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-({4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl}amino)ethan-1-ol
Synonyms Click here for help
CYM-5442
Database Links Click here for help
GtoPdb PubChem SID 135650150
PubChem CID 25110406
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