COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK380677
Chemical Name: (2E)-3-{4-[(4-bromobenzyl)oxy]phenyl}-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(cc1)OCc1ccc(cc1)Br)/C(=O)N1CCc2c(C1)cccc2

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Molecular Weight: 473.37
Empirical Formula: C26H21BrN2O2

Physical State: Dry powder
Available Amount: 117 mg

Lipinsky:
logP: 5.703
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 53
Number of rings: 4

     

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