COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042221
Chemical Name: 4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C(C)C)CCC(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F

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Molecular Weight: 455.5
Empirical Formula: C20H24F3N5O2S

Physical State: Dry powder
Available Amount: 187 mg

Lipinsky:
logP: 2.564
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 102
Number of rings: 3

     

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