COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK627100
Chemical Name: 1-[2-(4-benzylpiperidin-1-yl)ethyl]-3,7,9-trimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Smiles: CC1=NN(CCN2CCC(CC2)Cc2ccccc2)c2n(C1)c1c(n2)n(C)c(=O)n(c1=O)C

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Molecular Weight: 449.56
Empirical Formula: C24H31N7O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.078
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 77
Number of rings: 5

     

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