LY 156735   Click here for help

GtoPdb Ligand ID: 1351

Synonyms: LY-156,735 | LY-156735 | LY156735 | TIK-301
Compound class: Synthetic organic
Comment: LY 156735 is a melatonin receptor agonist [2].
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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 5
Topological polar surface area 54.12
Molecular weight 280.1
XLogP 2.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc2c(cc1Cl)[nH]cc2C(CNC(=O)C)C
Isomeric SMILES COc1cc2c(cc1Cl)[nH]cc2[C@H](CNC(=O)C)C
InChI InChI=1S/C14H17ClN2O2/c1-8(6-16-9(2)18)11-7-17-13-5-12(15)14(19-3)4-10(11)13/h4-5,7-8,17H,6H2,1-3H3,(H,16,18)/t8-/m0/s1
InChI Key RKHCTAKUYDTFHE-QMMMGPOBSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(2R)-2-(6-chloro-5-methoxy-1H-indol-3-yl)propyl]acetamide
Synonyms Click here for help
LY-156,735 | LY-156735 | LY156735 | TIK-301
Database Links Click here for help
GtoPdb PubChem SID 135650542
PubChem CID 219018
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Wikipedia LY-156,735