COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK528592
Chemical Name: 8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCCn1c(Sc2nc3c(s2)cccc3)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 457.62
Empirical Formula: C22H27N5O2S2

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 7.453
Rotatable bonds: 10
H-donors: 1
H-acceptors: 2
PSA: 133
Number of rings: 4

     

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