COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK856998
Chemical Name: 8-[benzyl(methyl)amino]-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C=C/Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N(Cc1ccccc1)C

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Molecular Weight: 339.4
Empirical Formula: C18H21N5O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.509
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 70
Number of rings: 3

     

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