COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL005031
Chemical Name: 1-(4-bromobenzyl)-3,7-dimethyl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Brc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n(C)c(n2)N/N=C/c1ccncc1

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Molecular Weight: 468.31
Empirical Formula: C20H18BrN7O2

Available Amount: 0 mg

Lipinsky:
logP: 3.557
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 4

     

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