COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040999
Chemical Name: (8E)-8-[(2E)-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinylidene]-1-(4-chlorobenzyl)-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\1/C(=O)Nc3c1cc(Br)cc3)/[nH]2

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Molecular Weight: 542.78
Empirical Formula: C22H17BrClN7O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.825
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 109
Number of rings: 5

     

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