COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK303667
Chemical Name: ethyl(2E)-3-{3-[(1,3-benzodioxol-5-yloxy)methyl]-4-methoxyphenyl}-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C/c1ccc(c(c1)COc1ccc2c(c1)OCO2)OC)/C#N

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Molecular Weight: 381.39
Empirical Formula: C21H19NO6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.736
Rotatable bonds: 8
H-donors: 0
H-acceptors: 6
PSA: 87
Number of rings: 3

     

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