COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL515869
Chemical Name: (3Z)-1-(2,4-dimethoxyphenyl)-3-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)propan-2-one
Smiles: COc1ccc(c(c1)OC)CC(=O)/C=C/1\NCCc2c1cc1OCCCOc1c2

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Molecular Weight: 395.46
Empirical Formula: C23H25NO5

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 3.415
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 66
Number of rings: 4

     

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