COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK840290
Chemical Name: 8-(azepan-1-yl)-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)OCC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCCC1)O

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Molecular Weight: 461.95
Empirical Formula: C22H28ClN5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.516
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 91
Number of rings: 4

     

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