COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK262598
Chemical Name: 7-(4-chlorobenzyl)-8-[(2,2-dimethoxyethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COC(CNc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C)OC

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Molecular Weight: 407.86
Empirical Formula: C18H22ClN5O4

Physical State: Dry powder
Available Amount: 178 mg

Lipinsky:
logP: 2.99
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 88
Number of rings: 3

     

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