COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054028
Chemical Name: (8E)-7-(4-bromobenzyl)-8-[(2E)-(4-methoxybenzylidene)hydrazinylidene]-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)/C=N/N=c/1\[nH]c2c(n1Cc1ccc(cc1)Br)c(=O)n(c(=O)n2C)C

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Molecular Weight: 497.35
Empirical Formula: C22H21BrN6O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.049
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 89
Number of rings: 4

     

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