COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL344305
Chemical Name: 1-(2-hydroxyethyl)-7,9-dimethyl-3-(3-nitrophenyl)-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Smiles: OCCN1N=C(Cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 399.37
Empirical Formula: C17H17N7O5

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 0.534
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 140
Number of rings: 4

     

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