[3H]R214127   Click here for help

GtoPdb Ligand ID: 1391

Synonyms: [3H]-R214127
 Ligand is labelled  Ligand is radioactive
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 0
Rotatable bonds 3
Topological polar surface area 39.19
Molecular weight 303.13
XLogP 4.38
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(c1ccc2c(c1)cc1c(n2)OCCC1)Cc1ccccc1
Isomeric SMILES O=C(c1ccc2c(c1)cc1c(n2)OCCC1)Cc1ccccc1
InChI InChI=1S/C20H17NO2/c22-19(11-14-5-2-1-3-6-14)15-8-9-18-17(12-15)13-16-7-4-10-23-20(16)21-18/h1-3,5-6,8-9,12-13H,4,7,10-11H2
InChI Key HXUSRWUBSYSWII-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-phenylethanone
Synonyms Click here for help
[3H]-R214127
Database Links Click here for help
ChEMBL Ligand CHEMBL369459
GtoPdb PubChem SID 135651195
PubChem CID 10470232
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