COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL005911
Chemical Name: 7-[(2E)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C(=C\Cn1c(S)nc2c1c(=O)n(C)c(=O)n2C)/Cl

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Molecular Weight: 300.77
Empirical Formula: C11H13ClN4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.885
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 97
Number of rings: 2

     

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