COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL011119
Chemical Name: 7-(2-chloro-6-fluorobenzyl)-3,9-dimethyl-1-(2-methylprop-2-en-1-yl)-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Smiles: CC(=C)CN1N=C(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1c(F)cccc1Cl

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Molecular Weight: 430.87
Empirical Formula: C20H20ClFN6O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.041
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 74
Number of rings: 4

     

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