5-methoxy-luzindole   Click here for help

GtoPdb Ligand ID: 1364

Synonyms: 5-methoxyluzindole
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 7
Topological polar surface area 54.12
Molecular weight 322.17
XLogP 3.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)Cc1ccccc1
Isomeric SMILES COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)Cc1ccccc1
InChI InChI=1S/C20H22N2O2/c1-14(23)21-11-10-17-18-13-16(24-2)8-9-19(18)22-20(17)12-15-6-4-3-5-7-15/h3-9,13,22H,10-12H2,1-2H3,(H,21,23)
InChI Key MUQOTEHRXIKHKR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[2-[5-methoxy-2-(phenylmethyl)-1H-indol-3-yl]ethyl]acetamide
Synonyms Click here for help
5-methoxyluzindole
Database Links Click here for help
CAS Registry No. 122853-28-5 (source: Scifinder)
ChEMBL Ligand CHEMBL339105
GtoPdb PubChem SID 135649838
PubChem CID 129776
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