COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL187570
Chemical Name: 2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Smiles: COc1cc(/C=C/C(=O)OCC(=O)Nc2cccc(c2)SC)cc(c1OC)OC

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Molecular Weight: 417.48
Empirical Formula: C21H23NO6S

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 3.827
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 108
Number of rings: 2

     

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