COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045182
Chemical Name: 8-[(2E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl]-6-hydroxy-3-methyl-7-octyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCCCCn1c(N/N=C/c2cc(Br)ccc2OC)nc2c1c(O)nc(=O)n2C

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Molecular Weight: 505.41
Empirical Formula: C22H29BrN6O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.836
Rotatable bonds: 11
H-donors: 2
H-acceptors: 3
PSA: 104
Number of rings: 3

     

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