COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK088828
Chemical Name: 7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C(=C/Cn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C)/Cl

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Molecular Weight: 390.89
Empirical Formula: C18H19ClN4O2S

Physical State: Dry powder
Available Amount: 528 mg

Lipinsky:
logP: 4.859
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 3

     

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