COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK568700
Chemical Name: 2-methylpropyl(2Z,3E)-2-[4-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-3-thioxo-1,2,4-thiadiazolidin-5-ylidene]-3-(propylimino)butanoate
Smiles: CCC/N=C(/C(=c\1/sn(c(=S)n1c1ccc(c(c1)Cl)Cl)c1ccc(cc1)F)/C(=O)OCC(C)C)\C

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Molecular Weight: 554.54
Empirical Formula: C25H26Cl2FN3O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.313
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 102
Number of rings: 3

     

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