COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK667954
Chemical Name: 2,5,8-tris(2,4-dinitrophenyl)-5,8-dihydro-2H-benzo[1,2-d:3,4-d':5,6-d'']tris[1,2,3]triazole
Smiles: [O-][N+](=O)c1cc(ccc1n1nc2c(n1)c1nn(nc1c1c2nn(n1)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 699.43
Empirical Formula: C24H9N15O12

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 5.987
Rotatable bonds: 0
H-donors: 0
H-acceptors: 12
PSA: 367
Number of rings: 7

     

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