COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK132884
Chemical Name: (4E)-4-{3-bromo-5-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(/C=C/2\C(=NN(C2=O)c2ccccc2)C)cc(c1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)Br

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Molecular Weight: 576.33
Empirical Formula: C25H17BrF3N3O5

Physical State: Dry powder
Available Amount: 340 mg

Lipinsky:
logP: 4.711
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 96
Number of rings: 4

     

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