COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL513626
Chemical Name: 7-[(2E)-but-2-en-1-yl]-8-[(2-hydroxyethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCNc1nc2c(n1C/C=C/C)c(=O)n(c(=O)n2C)C

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Molecular Weight: 293.33
Empirical Formula: C13H19N5O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.853
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 90
Number of rings: 2

     

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