COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL514796
Chemical Name: (2Z)-1-(5,6-dihydro-1,4-dioxin-2-yl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanone
Smiles: O=C(C1=COCCO1)/C=C/1\NCCc2c1cc1OCCCOc1c2

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Molecular Weight: 329.35
Empirical Formula: C18H19NO5

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 2.234
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 66
Number of rings: 4

     

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