COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK098796
Chemical Name: 8-[(4-chlorobenzyl)amino]-7-(3-methoxybenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1cccc(c1)Cn1c(NCc2ccc(cc2)Cl)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 439.9
Empirical Formula: C22H22ClN5O3

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 4.193
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 79
Number of rings: 4

     

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