COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK000348
Chemical Name: 2-(1,3-benzothiazol-2-yl)-4-{(E)-[(2,2,6,6-tetramethylpiperidin-4-yl)imino]methyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: O=c1n([nH]c(c1/C=N/C1CC(C)(C)NC(C1)(C)C)C(F)(F)F)c1nc2c(s1)cccc2

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Molecular Weight: 451.52
Empirical Formula: C21H24F3N5OS

Physical State: Dry powder
Available Amount: 615 mg

Lipinsky:
logP: 6.879
Rotatable bonds: 2
H-donors: 2
H-acceptors: 1
PSA: 97
Number of rings: 4

     

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