COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK742038
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[4-(4-fluorophenyl)piperazin-1-yl]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Fc1ccc(cc1)N1CCN(CC1)/C(=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/C

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Saltdata: H2O
Molecular Weight: 489.5
Empirical Formula: C23H19F4N5OS

Physical State: Dry powder
Available Amount: 491 mg

Lipinsky:
logP: 6.52
Rotatable bonds: 0
H-donors: 0
H-acceptors: 1
PSA: 80
Number of rings: 5

     

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