COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK539724
Chemical Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)OCC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCNCC1)O

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Molecular Weight: 448.91
Empirical Formula: C20H25ClN6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.447
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 103
Number of rings: 4

     

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