COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK991431
Chemical Name: (5E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-thioxo-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)-1,3-thiazolidin-4-one
Smiles: COc1cc(CCN2C(=S)S/C(=C/Nc3cccc(c3)C(F)(F)F)/C2=O)ccc1OC

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Molecular Weight: 468.52
Empirical Formula: C21H19F3N2O3S2

Physical State: Dry powder
Available Amount: 53 mg

Lipinsky:
logP: 4.049
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 108
Number of rings: 3

     

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