COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL170411
Chemical Name: (4E)-2-(3,4-dichlorophenyl)-4-(2-hydroxy-5-nitrobenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C/c1cc(ccc1O)[N+](=O)[O-])c1ccc(c(c1)Cl)Cl

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Molecular Weight: 392.2
Empirical Formula: C17H11Cl2N3O4

Physical State: Dry powder
Available Amount: 54 mg

Lipinsky:
logP: 4.654
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 3

     

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