COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK535984
Chemical Name: 8-[(2E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl]-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(N/N=C/c2cc(Br)ccc2OC)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 447.29
Empirical Formula: C18H19BrN6O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.004
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 92
Number of rings: 3

     

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