COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK662723
Chemical Name: 4-{[7-(3,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}butanenitrile
Smiles: N#CCCCSc1nc2c(n1Cc1ccc(c(c1)Cl)Cl)c(=O)n(c(=O)n2C)C

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Molecular Weight: 438.34
Empirical Formula: C18H17Cl2N5O2S

Physical State: Dry powder
Available Amount: 62 mg

Lipinsky:
logP: 4.043
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 107
Number of rings: 3

     

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