COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK374914
Chemical Name: 4-[(2E)-3-(2-methoxyphenyl)prop-2-enoyl]-1-methyl-5,6,7,8-tetrahydroisoquinolin-3(2H)-one
Smiles: COc1ccccc1/C=C/C(=O)c1c(=O)[nH]c(c2c1CCCC2)C

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Molecular Weight: 323.39
Empirical Formula: C20H21NO3

Available Amount: 0 mg

Lipinsky:
logP: 3.875
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 55
Number of rings: 3

     

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