COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL322366
Chemical Name: 8-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(N/N=C/c2ccc(cc2)Br)nc2c1c(=O)[nH]c(=O)n2C)C

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Molecular Weight: 433.31
Empirical Formula: C18H21BrN6O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.382
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 91
Number of rings: 3

     

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