COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK380683
Chemical Name: (2E)-3-[5-(4-bromo-3-methylphenyl)furan-2-yl]-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(o1)c1ccc(c(c1)C)Br)/C(=O)N1CCc2c(C1)cccc2

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Molecular Weight: 447.33
Empirical Formula: C24H19BrN2O2

Physical State: Dry powder
Available Amount: 228 mg

Lipinsky:
logP: 6.104
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 57
Number of rings: 4

     

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