COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK393735
Chemical Name: (4E)-2-(3,5-dichlorophenyl)-4-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1cc(/C=C/2\C(=NN(C2=O)c2cc(Cl)cc(c2)Cl)C)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 436.25
Empirical Formula: C19H15Cl2N3O5

Physical State: Dry powder
Available Amount: 202 mg

Lipinsky:
logP: 4.977
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 107
Number of rings: 3

     

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