COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL515041
Chemical Name: (2E)-1-(7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Smiles: COc1c(OC)cc(cc1OC)/C=C/C(=O)N1CCc2c(C1=C)cc1c(c2)OCCCO1

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Molecular Weight: 437.49
Empirical Formula: C25H27NO6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.721
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 66
Number of rings: 4

     

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