COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147606
Chemical Name: 2-(1,3-benzothiazol-2-yl)-4-{[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-(trifluoromethyl)-1H-pyrazol-4-yl][4-(diethylamino)phenyl]methyl}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCN(c1ccc(cc1)C(c1c(O)n(nc1C(F)(F)F)c1nc2c(s1)cccc2)C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)CC

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Molecular Weight: 729.73
Empirical Formula: C33H25F6N7O2S2

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 10.516
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 156
Number of rings: 7

     

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