COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK598618
Chemical Name: 8-[(2E)-2-(3-ethoxy-4-hydroxybenzylidene)hydrazinyl]-7-(4-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCOc1cc(/C=N/Nc2nc3c(n2Cc2ccc(cc2)F)c(O)nc(=O)n3C)ccc1O

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Molecular Weight: 452.45
Empirical Formula: C22H21FN6O4

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 3.147
Rotatable bonds: 7
H-donors: 3
H-acceptors: 4
PSA: 124
Number of rings: 4

     

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