COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK768366
Chemical Name: 8-[(2E)-1-(4-methoxy-3-nitrobenzyl)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1[N+](=O)[O-])CN(c1nc2c(n1C)c(=O)n(c(=O)n2C)C)/N=C/c1cccc2c1cccc2

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Molecular Weight: 527.54
Empirical Formula: C27H25N7O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.701
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 129
Number of rings: 5

     

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