COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL482228
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(4-benzylpiperidin-1-yl)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)/N1CCC(CC1)Cc1ccccc1

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Molecular Weight: 484.55
Empirical Formula: C25H23F3N4OS

Physical State: Dry powder
Available Amount: 258 mg

Lipinsky:
logP: 8.227
Rotatable bonds: 1
H-donors: 0
H-acceptors: 1
PSA: 77
Number of rings: 5

     

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