COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK840072
Chemical Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCC1)COc1ccccc1C

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Molecular Weight: 413.48
Empirical Formula: C21H27N5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.162
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 91
Number of rings: 4

     

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