COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK571226
Chemical Name: (2E)-1-(5-bromofuran-2-yl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanone
Smiles: Brc1ccc(o1)C(=O)/C=C\1/NCCc2c1cc1OCCCOc1c2

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Molecular Weight: 390.23
Empirical Formula: C18H16BrNO4

Physical State: Dry powder
Available Amount: 145 mg

Lipinsky:
logP: 3.545
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 60
Number of rings: 4

     

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