RU 24969   Click here for help

GtoPdb Ligand ID: 23

Synonyms: RU-24,969 | RU-24969
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 37.05
Molecular weight 228.13
XLogP 1.92
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc2c(c1)c(c[nH]2)C1=CCNCC1
Isomeric SMILES COc1ccc2c(c1)c(c[nH]2)C1=CCNCC1
InChI InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3
InChI Key KRVMLPUDAOWOGN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Synonyms Click here for help
RU-24,969 | RU-24969
Database Links Click here for help
BindingDB Ligand 81498
CAS Registry No. 66611-26-5 (source: Scifinder)
ChEMBL Ligand CHEMBL18785
GtoPdb PubChem SID 135650950
PubChem CID 108029
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Wikipedia RU-24,969