COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK962882
Chemical Name: 1-methyl-4-[(2E)-3-(4-methylphenyl)prop-2-enoyl]-5,6,7,8-tetrahydroisoquinolin-3(2H)-one
Smiles: Cc1ccc(cc1)/C=C/C(=O)c1c(=O)[nH]c(c2c1CCCC2)C

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Molecular Weight: 307.39
Empirical Formula: C20H21NO2

Physical State: Dry powder
Available Amount: 43 mg

Lipinsky:
logP: 4.329
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 46
Number of rings: 3

     

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