COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL009901
Chemical Name: 7-[(2E)-but-2-en-1-yl]-1-(4-chlorobenzyl)-3,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Smiles: C/C=C/Cn1c(=O)n(C)c2c(c1=O)n1CC(=NN(c1n2)Cc1ccc(cc1)Cl)C

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Molecular Weight: 412.88
Empirical Formula: C20H21ClN6O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.401
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 74
Number of rings: 4

     

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