COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053946
Chemical Name: (8E)-7-(4-bromobenzyl)-1,3-dimethyl-8-[(2E)-(thiophen-2-ylmethylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: Brc1ccc(cc1)Cn1/c(=N/N=C/c2cccs2)/[nH]c2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 473.35
Empirical Formula: C19H17BrN6O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.523
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 108
Number of rings: 4

     

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