COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051976
Chemical Name: (8E)-1-(4-chlorobenzyl)-8-[(2E)-(furan-2-ylmethylidene)hydrazinylidene]-3,7-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(=O)c2n(C)/c(=N/N=C/c3ccco3)/[nH]c2n(c1=O)C

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Molecular Weight: 412.84
Empirical Formula: C19H17ClN6O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.391
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 93
Number of rings: 4

     

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