COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK011874
Chemical Name: 2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(2-hydroxy-5-methylphenyl)ethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: Cc1ccc(c(c1)/N=C(/c1c(=O)n([nH]c1C(F)(F)F)c1nc2c(s1)cccc2)\C)O

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Molecular Weight: 432.43
Empirical Formula: C20H15F3N4O2S

Physical State: Dry powder
Available Amount: 408 mg

Lipinsky:
logP: 5.876
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 106
Number of rings: 4

     

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