COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL377882
Chemical Name: 7-(3-chlorobenzyl)-1,3-dimethyl-8-{[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1cccc(c1)Cn1c(SCCn2c(C)ncc2[N+](=O)[O-])nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 489.94
Empirical Formula: C20H20ClN7O4S

Physical State: Dry powder
Available Amount: 16 mg

Lipinsky:
logP: 4.11
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 147
Number of rings: 4

     

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