COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL512847
Chemical Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)propan-1-one
Smiles: CN(CCC(=O)c1ccc2c(c1)OCCCO2)C

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Saltdata: HCl
Molecular Weight: 249.31
Empirical Formula: C14H19NO3

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 2.22
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 38
Number of rings: 2

     

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