[3H](+)telenzepine   Click here for help

GtoPdb Ligand ID: 8594

 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Comment: The position of the tritiated hydrogen atom is not specified in the available literature therefore it is not shown in the structure here.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 89.58
Molecular weight 370.15
XLogP 2.05
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2
Isomeric SMILES CN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2
InChI InChI=1S/C19H22N4O2S/c1-13-18-14(12-26-13)19(25)20-15-5-3-4-6-16(15)23(18)17(24)11-22-9-7-21(2)8-10-22/h3-6,12H,7-11H2,1-2H3,(H,20,25)
InChI Key VSWPGAIWKHPTKX-UHFFFAOYSA-N
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Compound class Synthetic organic
IUPAC Name Click here for help
1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one
Database Links Click here for help
GtoPdb PubChem SID 252166795
PubChem CID 5387
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