COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK857174
Chemical Name: 1-[(2E)-but-2-en-1-yl]-7-(3,4-dichlorobenzyl)-3,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Smiles: C/C=C/CN1N=C(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccc(c(c1)Cl)Cl

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Molecular Weight: 447.32
Empirical Formula: C20H20Cl2N6O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.871
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 74
Number of rings: 4

     

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