COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK317437
Chemical Name: 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propan-1-one
Smiles: COc1nn(cc1[N+](=O)[O-])C(C(=O)N1N=C(CC1(O)C(F)(F)F)C)C

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Molecular Weight: 365.27
Empirical Formula: C12H14F3N5O5

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 0.398
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 2

     

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