COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK840088
Chemical Name: 8-(azepan-1-yl)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)OCC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCCC1)O

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Molecular Weight: 457.53
Empirical Formula: C23H31N5O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.795
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 100
Number of rings: 4

     

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