COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL570640
Chemical Name: N-(3-bromophenyl)-2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)Br)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 452.33
Empirical Formula: C17H18BrN5O3S

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 4.119
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 3

     

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