COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052144
Chemical Name: (8E)-7-(3-chlorobenzyl)-1,3-dimethyl-8-[(2E)-(3,4,5-trimethoxybenzylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: COc1cc(/C=N/N=c/2\[nH]c3c(n2Cc2cccc(c2)Cl)c(=O)n(c(=O)n3C)C)cc(c1OC)OC

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Molecular Weight: 512.95
Empirical Formula: C24H25ClN6O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.738
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 108
Number of rings: 4

     

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