COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK868463
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-({2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl}amino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C(N1CCN(CC1)CCN/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/C)C(C)C

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Molecular Weight: 508.57
Empirical Formula: C23H27F3N6O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.32
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 109
Number of rings: 4

     

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