ORG-37684   

GtoPdb Ligand ID: 171

Synonyms: ORG-37,684
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 30.49
Molecular weight 233.14
XLogP 2.06
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1ccc2c(c1OC1CNCC1)CCC2
Isomeric SMILES COc1ccc2c(c1O[C@@H]1CNCC1)CCC2
InChI InChI=1S/C14H19NO2/c1-16-13-6-5-10-3-2-4-12(10)14(13)17-11-7-8-15-9-11/h5-6,11,15H,2-4,7-9H2,1H3/t11-/m0/s1
InChI Key QDJAYXYEXHVXJV-NSHDSACASA-N
Classification
Compound class Synthetic organic
IUPAC Name
(3S)-3-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]pyrrolidine
Synonyms
ORG-37,684
Database Links
GtoPdb PubChem SID 135650778
PubChem CID 9794656
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Wikipedia ORG-37,684