COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL444567
Chemical Name: (4E)-4-{1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethylidene}-2-(1,3-benzothiazol-2-yl)-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)/N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 529.54
Empirical Formula: C25H22F3N5O3S

Physical State: Dry powder
Available Amount: 206 mg

Lipinsky:
logP: 6.523
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 98
Number of rings: 6

     

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