COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK309154
Chemical Name: 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitro-1H-pyrazol-1-yl)butan-1-one
Smiles: CCC(n1ncc(c1)[N+](=O)[O-])C(=O)N1N=C(CC1(O)C(F)(F)F)C

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Molecular Weight: 349.27
Empirical Formula: C12H14F3N5O4

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 0.847
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 2

     

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