COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK040925
Chemical Name: methyl2-({(1E)-1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-4-yl]ethylidene}amino)-4,5-dimethoxybenzoate
Smiles: COC(=O)c1cc(OC)c(cc1/N=C(/c1c(=O)n([nH]c1C(F)(F)F)c1nc2c(s1)cccc2)\C)OC

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Molecular Weight: 520.49
Empirical Formula: C23H19F3N4O5S

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 6.986
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 130
Number of rings: 4

     

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