COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK743405
Chemical Name: 4-{[7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}butanenitrile
Smiles: N#CCCCSc1nc2c(n1Cc1c(F)cccc1Cl)c(=O)n(c(=O)n2C)C

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Molecular Weight: 421.88
Empirical Formula: C18H17ClFN5O2S

Physical State: Dry powder
Available Amount: 549 mg

Lipinsky:
logP: 3.183
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 107
Number of rings: 3

     

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