COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL002824
Chemical Name: 7-(2-chlorobenzyl)-3-methyl-8-[(3,3,5-trimethylcyclohexyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC1CC(Nc2nc3c(n2Cc2ccccc2Cl)c(=O)[nH]c(=O)n3C)CC(C1)(C)C

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Molecular Weight: 429.95
Empirical Formula: C22H28ClN5O2

Available Amount: 0 mg

Lipinsky:
logP: 5.375
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 79
Number of rings: 4

     

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