COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK364886
Chemical Name: (2E)-N-{2-[(3,4-dichlorobenzyl)sulfanyl]ethyl}-3-(3,4-dimethoxyphenyl)prop-2-enamide
Smiles: COc1cc(/C=C/C(=O)NCCSCc2ccc(c(c2)Cl)Cl)ccc1OC

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Molecular Weight: 426.36
Empirical Formula: C20H21Cl2NO3S

Physical State: Dry powder
Available Amount: 277 mg

Lipinsky:
logP: 4.975
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 72
Number of rings: 2

     

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