COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK016948
Chemical Name: (4E)-2-(3,4-dimethylphenyl)-4-{[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1ccc(c(c1)[N+](=O)[O-])O)c1ccc(c(c1)C)C

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Molecular Weight: 417.42
Empirical Formula: C23H19N3O5

Physical State: Dry powder
Available Amount: 82 mg

Lipinsky:
logP: 4.894
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 111
Number of rings: 4

     

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