COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL010806
Chemical Name: [7-(2-chloro-6-fluorobenzyl)-3,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro[1,2,4]triazino[3,4-f]purin-1(4H)-yl]aceticacid
Smiles: OC(=O)CN1N=C(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1c(F)cccc1Cl

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Molecular Weight: 434.81
Empirical Formula: C18H16ClFN6O4

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 1.299
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 111
Number of rings: 4

     

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