COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK302753
Chemical Name: {3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Smiles: CC1=NN(C(C1)(O)C(F)(F)F)C(=O)c1cccc(c1)Cn1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 425.37
Empirical Formula: C18H18F3N5O4

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 1.943
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 3

     

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