COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046743
Chemical Name: 2-(1,3-benzothiazol-2-yl)-4-{[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-(trifluoromethyl)-1H-pyrazol-4-yl](4-chlorophenyl)methyl}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)C(c1c(O)n(nc1C(F)(F)F)c1nc2c(s1)cccc2)C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2

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Molecular Weight: 693.05
Empirical Formula: C29H15ClF6N6O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.94
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 152
Number of rings: 7

     

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