COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL286804
Chemical Name: (3,5-dinitrophenyl)[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Smiles: CCOc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OCC)C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 570.6
Empirical Formula: C31H30N4O7

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 6.141
Rotatable bonds: 2
H-donors: 0
H-acceptors: 7
PSA: 142
Number of rings: 5

     

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