COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK741761
Chemical Name: 2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-heptylpropanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: CCCCCCC/N=C(/c1c(=O)n([nH]c1C(F)(F)F)c1nc2c(s1)cccc2)\CC

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Molecular Weight: 438.52
Empirical Formula: C21H25F3N4OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.198
Rotatable bonds: 8
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 3

     

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