COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043544
Chemical Name: 7-(3-bromobenzyl)-6-hydroxy-3-methyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-2H-purin-2-one
Smiles: Brc1cccc(c1)Cn1c(SCCN2CCOCC2)nc2c1c(O)nc(=O)n2C

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Molecular Weight: 480.39
Empirical Formula: C19H22BrN5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.589
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 108
Number of rings: 4

     

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