COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK030779
Chemical Name: 2,2',2''-(pyrimidine-2,4,6-triyltribenzene-4,1-diyl)tris(5-nitro-1H-isoindole-1,3(2H)-dione)
Smiles: O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)c1cc(nc(n1)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-])c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 878.73
Empirical Formula: C46H22N8O12

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: 5.852
Rotatable bonds: 0
H-donors: 0
H-acceptors: 12
PSA: 275
Number of rings: 10

     

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