COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053366
Chemical Name: (8E)-1-(4-bromobenzyl)-3,7-dimethyl-8-[(2E)-(pyridin-3-ylmethylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: Brc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n(C)/c(=N/N=C/c1cccnc1)/[nH]2

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Molecular Weight: 468.31
Empirical Formula: C20H18BrN7O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.704
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 93
Number of rings: 4

     

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