COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK689760
Chemical Name: 1-benzyl-3-(4-heptylphenyl)-7,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Smiles: CCCCCCCc1ccc(cc1)C1=NN(Cc2ccccc2)c2n(C1)c1c(=O)n(C)c(=O)n(c1n2)C

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Molecular Weight: 498.63
Empirical Formula: C29H34N6O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.856
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 74
Number of rings: 5

     

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