COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK743121
Chemical Name: 5-{[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}pentanenitrile
Smiles: N#CCCCCSc1nc2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C

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Molecular Weight: 417.92
Empirical Formula: C19H20ClN5O2S

Physical State: Dry powder
Available Amount: 78 mg

Lipinsky:
logP: 3.874
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 107
Number of rings: 3

     

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