COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK097232
Chemical Name: 7-[(2Z)-3-chlorobut-2-en-1-yl]-8-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1cc(/C=N/Nc2nc3c(n2C/C=C(\Cl)/C)c(=O)[nH]c(=O)n3C)ccc1OC

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Molecular Weight: 432.87
Empirical Formula: C19H21ClN6O4

Physical State: Dry powder
Available Amount: 406 mg

Lipinsky:
logP: 3.663
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 110
Number of rings: 3

     

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