COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK380487
Chemical Name: (4Z)-2-(3-chlorophenyl)-4-{3-methoxy-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(ccc1Oc1ccc(cc1C(F)(F)F)[N+](=O)[O-])/C=C\1/C(=NN(C1=O)c1cccc(c1)Cl)C

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Molecular Weight: 531.88
Empirical Formula: C25H17ClF3N3O5

Physical State: Dry powder
Available Amount: 263 mg

Lipinsky:
logP: 5.525
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 96
Number of rings: 4

     

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