COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL377880
Chemical Name: 2-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoicacid
Smiles: Clc1cccc(c1)Cn1c(SC(C(=O)O)C)nc2c1c(=O)n(C)c(=O)n2C

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Molecular Weight: 408.87
Empirical Formula: C17H17ClN4O4S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 3.697
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 3

     

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