COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL272083
Chemical Name: 2-[1,3-benzodioxol-5-yl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-(4-bromophenyl)ethanone
Smiles: Brc1ccc(cc1)C(=O)CN(c1ccc2c(c1)OCO2)C1=NCCCCC1

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Saltdata: HBr
Molecular Weight: 429.31
Empirical Formula: C21H21BrN2O3

Available Amount: 0 mg

Lipinsky:
logP: 4.039
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 51
Number of rings: 4

     

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