COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL342881
Chemical Name: 8-(1,3-benzothiazol-2-ylsulfanyl)-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1Cn1c(Sc2nc3c(s2)cccc3)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 469.98
Empirical Formula: C21H16ClN5O2S2

Physical State: Dry powder
Available Amount: 193 mg

Lipinsky:
logP: 6.284
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 124
Number of rings: 5

     

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