COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL004776
Chemical Name: 8-(azepan-1-yl)-7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)[nH]c(=O)c2c1nc(n2CCSc1nc2c(s1)cccc2)N1CCCCCC1

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Molecular Weight: 456.59
Empirical Formula: C21H24N6O2S2

Available Amount: 0 mg

Lipinsky:
logP: 3.906
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 136
Number of rings: 5

     

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