COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK087943
Chemical Name: 2-[(1E)-2-cyano-3-oxo-3-phenylprop-1-en-1-yl]phenyl4-bromobenzoate
Smiles: N#C/C(=C\c1ccccc1OC(=O)c1ccc(cc1)Br)/C(=O)c1ccccc1

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Molecular Weight: 432.27
Empirical Formula: C23H14BrNO3

Physical State: Dry powder
Available Amount: 135 mg

Lipinsky:
logP: 5.977
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 67
Number of rings: 3

     

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