L-741,626   Click here for help

GtoPdb Ligand ID: 177

Synonyms: L 741626 | L741626
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 3
Topological polar surface area 39.26
Molecular weight 340.13
XLogP 3.8
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2
Isomeric SMILES Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2
InChI InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
InChI Key LLBLNMUONVVVPG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol
Synonyms Click here for help
L 741626 | L741626
Database Links Click here for help
BindingDB Ligand 50050467
CAS Registry No. 81226-60-0 (source: Scifinder)
ChEMBL Ligand CHEMBL445102
GtoPdb PubChem SID 135650487
PubChem CID 133633
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Wikipedia L-741,626

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Tocris
L-741,626
Cat. No. 1003