COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK040740
Chemical Name: (4E)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[2-(2-nitrophenyl)hydrazinylidene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1N(N=C(/C/1=N\Nc1ccccc1[N+](=O)[O-])c1ccccc1)c1scc(n1)C(C)(C)C

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Molecular Weight: 448.51
Empirical Formula: C22H20N6O3S

Physical State: Dry powder
Available Amount: 38 mg

Lipinsky:
logP: 4.69
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 144
Number of rings: 4

     

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