COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL506520
Chemical Name: ethyl(2E)-3-(5-bromo-2-hydroxy-3-methoxyphenyl)-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C/c1cc(Br)cc(c1O)OC)/C#N

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Molecular Weight: 326.15
Empirical Formula: C13H12BrNO4

Physical State: Dry powder
Available Amount: 548 mg

Lipinsky:
logP: 3.33
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 79
Number of rings: 1

     

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