COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561192
Chemical Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(3,4-dihydroisoquinolin-2(1H)-yl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Cn1c(=O)nc(c2c1nc(n2CCSc1nc2c(s1)cccc2)N1CCc2c(C1)cccc2)O

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Molecular Weight: 490.61
Empirical Formula: C24H22N6O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.876
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 140
Number of rings: 6

     

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