COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL187592
Chemical Name: 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Smiles: COc1cc(/C=C/C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc(c1OC)OC

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Molecular Weight: 429.43
Empirical Formula: C22H23NO8

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 2.388
Rotatable bonds: 8
H-donors: 1
H-acceptors: 8
PSA: 101
Number of rings: 3

     

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