COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL512840
Chemical Name: {[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetonitrile
Smiles: N#CCOc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C

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Molecular Weight: 363.37
Empirical Formula: C21H17NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.917
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 77
Number of rings: 4

     

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