COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295115
Chemical Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-{[(4-methyl-2-nitrophenyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: Cc1ccc(c(c1)[N+](=O)[O-])N/C=C/1\C(=NN(C1=O)c1ccc(c(c1)C)C)C

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Molecular Weight: 364.4
Empirical Formula: C20H20N4O3

Physical State: Dry powder
Available Amount: 162 mg

Lipinsky:
logP: 3.844
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 3

     

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