COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054095
Chemical Name: (8Z)-1-(4-chlorobenzyl)-8-[(2E)-(2,6-dichlorobenzylidene)hydrazinylidene]-3,7-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n(C)/c(=N\N=C\c1c(Cl)cccc1Cl)/[nH]2

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Molecular Weight: 491.76
Empirical Formula: C21H17Cl3N6O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.992
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 80
Number of rings: 4

     

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