COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK741712
Chemical Name: 2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(4-ethylphenyl)ethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: CCc1ccc(cc1)/N=C(/c1c(=O)n([nH]c1C(F)(F)F)c1nc2c(s1)cccc2)\C

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Molecular Weight: 430.45
Empirical Formula: C21H17F3N4OS

Physical State: Dry powder
Available Amount: 249 mg

Lipinsky:
logP: 7.222
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 4

     

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