COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK059062
Chemical Name: 4-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]phenyl3-bromobenzoate
Smiles: CCOC(=O)/C(=C/c1ccc(cc1)OC(=O)c1cccc(c1)Br)/C#N

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Molecular Weight: 400.23
Empirical Formula: C19H14BrNO4

Physical State: Dry powder
Available Amount: 137 mg

Lipinsky:
logP: 4.704
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 76
Number of rings: 2

     

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