COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560729
Chemical Name: 8-[(2E)-2-(3-bromo-4-hydroxy-5-methoxybenzylidene)hydrazinyl]-7-hexyl-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCCn1c(N/N=C/c2cc(Br)c(c(c2)OC)O)nc2c1c(O)nc(=O)n2C

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Molecular Weight: 493.36
Empirical Formula: C20H25BrN6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.753
Rotatable bonds: 10
H-donors: 3
H-acceptors: 4
PSA: 124
Number of rings: 3

     

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