COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK317327
Chemical Name: (2Z)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one
Smiles: COc1ccc(cc1COc1ccc(cc1)Br)/C=C\C(=O)N1CCc2c(C1)cccc2

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Molecular Weight: 478.39
Empirical Formula: C26H24BrNO3

Physical State: Dry powder
Available Amount: 51 mg

Lipinsky:
logP: 6.173
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 38
Number of rings: 4

     

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