COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK262518
Chemical Name: 8-[(2-chlorobenzyl)amino]-1,3-dimethyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1cccc(c1)Cn1c(NCc2ccccc2Cl)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 423.9
Empirical Formula: C22H22ClN5O2

Physical State: Dry powder
Available Amount: 216 mg

Lipinsky:
logP: 4.737
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 70
Number of rings: 4

     

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