COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL446110
Chemical Name: methyl4-({(1E)-1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-4-yl]ethylidene}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)/N=C(/c1c(=O)n([nH]c1C(F)(F)F)c1nc2c(s1)cccc2)\C

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Molecular Weight: 460.44
Empirical Formula: C21H15F3N4O3S

Physical State: Dry powder
Available Amount: 190 mg

Lipinsky:
logP: 6.579
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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