COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK007635
Chemical Name: 8-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1cc(/C=N/Nc2nc3c(n2Cc2ccc(cc2)C)c(=O)[nH]c(=O)n3C)ccc1OC

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Molecular Weight: 448.48
Empirical Formula: C23H24N6O4

Physical State: Dry powder
Available Amount: 337 mg

Lipinsky:
logP: 3.863
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 110
Number of rings: 4

     

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