COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK302258
Chemical Name: (1-ethyl-4-nitro-1H-pyrazol-3-yl)[(7E)-7-(4-nitrobenzylidene)-3-(4-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Smiles: CCn1cc(c(n1)C(=O)N1N=C2C(C1c1ccc(cc1)[N+](=O)[O-])CCC/C/2=C\c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 545.51
Empirical Formula: C26H23N7O7

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.286
Rotatable bonds: 2
H-donors: 0
H-acceptors: 7
PSA: 187
Number of rings: 5

     

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