COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK249152
Chemical Name: 4-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}benzonitrile
Smiles: C=CCn1c(Oc2ccc(cc2)C#N)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 337.34
Empirical Formula: C17H15N5O3

Physical State: Dry powder
Available Amount: 270 mg

Lipinsky:
logP: 3.123
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 91
Number of rings: 3

     

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