COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL490683
Chemical Name: 8-{[2-(5-chloro-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(c1ccc([nH]1)Cl)CSc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C

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Molecular Weight: 353.79
Empirical Formula: C13H12ClN5O3S

Available Amount: 0 mg

Lipinsky:
logP: 3.054
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 127
Number of rings: 3

     

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