COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL432534
Chemical Name: (4Z)-2-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1cc(/C=C/2\C(=O)N(N=C2C(F)(F)F)c2ccc(cc2)Cl)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 455.78
Empirical Formula: C19H13ClF3N3O5

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 6.622
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 107
Number of rings: 3

     

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