COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL350917
Chemical Name: 1-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3,4,7,9-tetramethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Smiles: Clc1cccc(c1)N1CCN(CC1)CCN1N=C(C)C(n2c1nc1c2c(=O)n(c(=O)n1C)C)C

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Molecular Weight: 484.99
Empirical Formula: C23H29ClN8O2

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 3.019
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 80
Number of rings: 5

     

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