COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK007458
Chemical Name: 1-(2-chloro-6-fluorobenzyl)-8-(3-methoxyphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1cccc(c1)Oc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1c(F)cccc1Cl

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Molecular Weight: 444.85
Empirical Formula: C21H18ClFN4O4

Physical State: Dry powder
Available Amount: 6 mg

Lipinsky:
logP: 4.409
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 76
Number of rings: 4

     

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