COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK877305
Chemical Name: [5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-nitrophenyl)methanone
Smiles: O=C(N1N=C(CC1(O)C(C)(C)C)C(F)(F)F)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 359.31
Empirical Formula: C15H16F3N3O4

Physical State: Dry powder
Available Amount: 197 mg

Lipinsky:
logP: 2.954
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 2

     

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