COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK762125
Chemical Name: [5-hydroxy-5-(4-pentylphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](2-nitrophenyl)methanone
Smiles: CCCCCc1ccc(cc1)C1(O)CC(=NN1C(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 449.43
Empirical Formula: C22H22F3N3O4

Physical State: Dry powder
Available Amount: 44 mg

Lipinsky:
logP: 5.429
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 3

     

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