COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL516366
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-1-(7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)prop-2-en-1-one
Smiles: O=C(N1CCc2c(C1=C)cc1c(c2)OCCCO1)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 391.42
Empirical Formula: C23H21NO5

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 5.253
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 57
Number of rings: 5

     

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