COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK017857
Chemical Name: 1-(2,4-dichlorobenzyl)-8-[(4-hydroxybutyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1Cl)Cl

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Molecular Weight: 426.3
Empirical Formula: C18H21Cl2N5O3

Physical State: Dry powder
Available Amount: 192 mg

Lipinsky:
logP: 2.999
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 90
Number of rings: 3

     

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