COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL187421
Chemical Name: 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Smiles: COc1cc(/C=C/C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)ccc1OC

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Molecular Weight: 399.4
Empirical Formula: C21H21NO7

Physical State: Dry powder
Available Amount: 62 mg

Lipinsky:
logP: 2.626
Rotatable bonds: 9
H-donors: 1
H-acceptors: 7
PSA: 92
Number of rings: 3

     

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