COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL511976
Chemical Name: (4Z)-4-(5-chloro-2-hydroxy-3-nitrobenzylidene)-2-(3,4-dimethylphenyl)-5-hydroxy-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1cc(/C=C\2/C(=NN(C2=O)c2ccc(c(c2)C)C)O)c(c(c1)[N+](=O)[O-])O

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Molecular Weight: 387.78
Empirical Formula: C18H14ClN3O5

Physical State: Dry powder
Available Amount: 490 mg

Lipinsky:
logP: 5.567
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 118
Number of rings: 3

     

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