COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK940494
Chemical Name: 5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-2-(thiomorpholin-4-ylmethyl)-4H-pyran-4-one
Smiles: O=c1cc(occ1OCC(=O)c1ccc2c(c1)OCCCO2)CN1CCSCC1

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Molecular Weight: 417.48
Empirical Formula: C21H23NO6S

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 2.929
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 99
Number of rings: 4

     

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