COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK062024
Chemical Name: methyl(2E)-3-(5-bromo-2,4-dimethoxyphenyl)-2-cyanoprop-2-enoate
Smiles: COC(=O)/C(=C/c1cc(Br)c(cc1OC)OC)/C#N

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Molecular Weight: 326.15
Empirical Formula: C13H12BrNO4

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 2.552
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 68
Number of rings: 1

     

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