COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK795140
Chemical Name: 1-[5-hydroxy-3-methyl-5-(pentafluoroethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone
Smiles: O=C(N1N=C(CC1(O)C(C(F)(F)F)(F)F)C)Cc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 381.26
Empirical Formula: C14H12F5N3O4

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 2.338
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 2

     

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