COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL446112
Chemical Name: 2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(butan-2-yl)ethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: CCC(/N=C(/c1c(=O)n([nH]c1C(F)(F)F)c1nc2c(s1)cccc2)\C)C

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Molecular Weight: 382.41
Empirical Formula: C17H17F3N4OS

Physical State: Dry powder
Available Amount: 350 mg

Lipinsky:
logP: 5.889
Rotatable bonds: 3
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 3

     

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