COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK063409
Chemical Name: (4E)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[2-(2-methyl-3-nitrophenyl)hydrazinylidene]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1N(N=C(/C/1=N\Nc1cccc(c1C)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-])c1scc(n1)C(C)(C)C

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Molecular Weight: 507.53
Empirical Formula: C23H21N7O5S

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 5.016
Rotatable bonds: 0
H-donors: 1
H-acceptors: 5
PSA: 189
Number of rings: 4

     

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