COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK536497
Chemical Name: 7-(2-chlorobenzyl)-8-[(3-chloro-2-hydroxypropyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: ClCC(CSc1nc2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C)O

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Molecular Weight: 429.33
Empirical Formula: C17H18Cl2N4O3S

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 3.782
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 103
Number of rings: 3

     

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