COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL009174
Chemical Name: 2-[7-(3-chlorobenzyl)-3,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro[1,2,4]triazino[3,4-f]purin-1(4H)-yl]acetamide
Smiles: NC(=O)CN1N=C(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1cccc(c1)Cl

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Molecular Weight: 415.84
Empirical Formula: C18H18ClN7O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.739
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 117
Number of rings: 4

     

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