COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK993701
Chemical Name: (7Z)-7-(4-nitrobenzylidene)-3-(4-nitrophenyl)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole
Smiles: [O-][N+](=O)c1ccc(cc1)/C=C\1/CCCC2C1=NN(C2c1ccc(cc1)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 454.49
Empirical Formula: C26H22N4O4

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.35
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 107
Number of rings: 5

     

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