COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK383103
Chemical Name: 7-(4-bromobenzyl)-8-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Brc1ccc(cc1)Cn1c(SCC(=O)N2CCc3c(C2)cccc3)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 554.47
Empirical Formula: C25H24BrN5O3S

Physical State: Dry powder
Available Amount: 123 mg

Lipinsky:
logP: 5.481
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 104
Number of rings: 5

     

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