COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK539888
Chemical Name: 8-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}-3-methyl-7-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN(c1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)[N+](=O)[O-])c(=O)[nH]c(=O)n2C)C

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Molecular Weight: 462.47
Empirical Formula: C22H22N8O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.186
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 140
Number of rings: 4

     

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