COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526295
Chemical Name: 7-(2,3-dihydroxypropyl)-1-[3-(dimethylamino)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(Cn1cnc2c1c(=O)n(CCCN(C)C)c(=O)n2C)O

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Saltdata: 2 HCl
Molecular Weight: 325.37
Empirical Formula: C14H23N5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.733
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 102
Number of rings: 2

     

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