COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL413589
Chemical Name: (5E)-2-[4-(phenylsulfonyl)piperazin-1-yl]-5-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C/c1c(C)nn(c1C)C)N1CCN(CC1)S(=O)(=O)c1ccccc1

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Molecular Weight: 445.57
Empirical Formula: C20H23N5O3S2

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 1.995
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 121
Number of rings: 4

     

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