COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK082580
Chemical Name: ethyl({7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate
Smiles: CCOC(=O)CSc1nc2c(n1C/C=C(\Cl)/C)c(=O)[nH]c(=O)n2C

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Molecular Weight: 372.83
Empirical Formula: C14H17ClN4O4S

Physical State: Dry powder
Available Amount: 380 mg

Lipinsky:
logP: 3.298
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 118
Number of rings: 2

     

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