COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK599134
Chemical Name: 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl2-bromobenzoate
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OC(=O)c1ccccc1Br)/C(=O)OC

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Molecular Weight: 416.23
Empirical Formula: C19H14BrNO5

Physical State: Dry powder
Available Amount: 188 mg

Lipinsky:
logP: 3.537
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 85
Number of rings: 2

     

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