COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK063381
Chemical Name: (4Z)-4-[2-(3-bromo-4-methylphenyl)hydrazinylidene]-2-(4-tert-butyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1N(N=C(/C/1=N/Nc1ccc(c(c1)Br)C)c1ccc(cc1)[N+](=O)[O-])c1scc(n1)C(C)(C)C

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Molecular Weight: 541.43
Empirical Formula: C23H21BrN6O3S

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 5.835
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 144
Number of rings: 4

     

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