COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK070452
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: C/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/NC1CC(C)(C)NC(C1)(C)C

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Molecular Weight: 465.54
Empirical Formula: C22H26F3N5OS

Physical State: Dry powder
Available Amount: 862 mg

Lipinsky:
logP: 7
Rotatable bonds: 1
H-donors: 2
H-acceptors: 1
PSA: 97
Number of rings: 4

     

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