COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK551465
Chemical Name: 8-{(2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCn1c(N/N=C/c2cc3OCOc3cc2Br)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 465.26
Empirical Formula: C17H17BrN6O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.001
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 121
Number of rings: 4

     

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