COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK001791
Chemical Name: (4E)-4-[2-(2-bromo-4-nitrophenyl)hydrazinylidene]-2-(5-tert-butyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Brc1cc(ccc1N/N=C\1/C(=O)N(N=C1c1ccc(cc1)[N+](=O)[O-])c1ncc(s1)C(C)(C)C)[N+](=O)[O-]

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Molecular Weight: 572.4
Empirical Formula: C22H18BrN7O5S

Physical State: Dry powder
Available Amount: 35 mg

Lipinsky:
logP: 5.115
Rotatable bonds: 0
H-donors: 1
H-acceptors: 5
PSA: 189
Number of rings: 4

     

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