COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561415
Chemical Name: (8E)-7-(3-bromobenzyl)-8-[(2E)-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinylidene]-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: Brc1cccc(c1)Cn1/c(=N/N=C\2/C(=O)Nc3c2cc(Br)cc3)/[nH]c2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 587.23
Empirical Formula: C22H17Br2N7O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.15
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 109
Number of rings: 5

     

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