COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK049019
Chemical Name: (4Z)-4-[2-(2-methoxy-5-nitrophenyl)hydrazinylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1N/N=C\1/C(=NN(C1=O)c1scc(n1)c1cccc(c1)[N+](=O)[O-])C)[N+](=O)[O-]

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Molecular Weight: 481.45
Empirical Formula: C20H15N7O6S

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 2.736
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 199
Number of rings: 4

     

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