5-BODMT   Click here for help

GtoPdb Ligand ID: 8422

Synonyms: 5-N-butyryloxy-N,N-dimethyltryptamine | compound 10 [PMID 21422162]
Compound class: Synthetic organic
Comment: 5-BODMT is a novel compound with >60-fold selectivity for the 5-HT1F receptor compared to the 5-HT1E receptor [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 36.1
Molecular weight 272.19
XLogP 2.55
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCC(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2
Isomeric SMILES CCCC(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2
InChI InChI=1S/C17H24N2O/c1-4-5-15(20)10-13-6-7-17-16(11-13)14(12-18-17)8-9-19(2)3/h6-7,11-12,18H,4-5,8-10H2,1-3H3
InChI Key OQDBJMBOPCUBGS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}pentan-2-one
Synonyms Click here for help
5-N-butyryloxy-N,N-dimethyltryptamine | compound 10 [PMID 21422162]
Database Links Click here for help
GtoPdb PubChem SID 252166632
PubChem CID 91827360
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