COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565608
Chemical Name: (2Z)-1-(3,4-dimethoxyphenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanone
Smiles: COc1ccc(cc1OC)C(=O)/C=C/1\NCCc2c1cc1OCCCOc1c2

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Molecular Weight: 381.43
Empirical Formula: C22H23NO5

Physical State: Liquid
Available Amount: 55 mg

Lipinsky:
logP: 3.935
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 66
Number of rings: 4

     

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