COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK592039
Chemical Name: 8-(1,3-benzothiazol-2-ylsulfanyl)-7-(2,6-dichlorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Clc1cccc(c1Cn1c(Sc2nc3c(s2)cccc3)nc2c1c(O)nc(=O)n2C)Cl

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Molecular Weight: 490.39
Empirical Formula: C20H13Cl2N5O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.831
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 137
Number of rings: 5

     

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