COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK011744
Chemical Name: (4E)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[2-(2-methoxy-5-nitrophenyl)hydrazinylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1N/N=C/1\C(=NN(C1=O)c1scc(n1)C(C)(C)C)C)[N+](=O)[O-]

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Molecular Weight: 416.46
Empirical Formula: C18H20N6O4S

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 3.137
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 153
Number of rings: 3

     

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