BRL-54443   Click here for help

GtoPdb Ligand ID: 3927

Synonyms: BRL 54443 | BRL54443
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 1
Topological polar surface area 39.26
Molecular weight 230.14
XLogP 2.01
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCC(CC1)c1c[nH]c2c1cc(O)cc2
Isomeric SMILES CN1CCC(CC1)c1c[nH]c2c1cc(O)cc2
InChI InChI=1S/C14H18N2O/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14/h2-3,8-10,15,17H,4-7H2,1H3
InChI Key WKNFADCGOAHBPG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(1-methylpiperidin-4-yl)-1H-indol-5-ol
Synonyms Click here for help
BRL 54443 | BRL54443
Database Links Click here for help
ChEMBL Ligand CHEMBL1371156
GtoPdb PubChem SID 178100756
PubChem CID 2438
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Wikipedia BRL-54443

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Tocris
BRL 54443
Cat. No. 1129