COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL271606
Chemical Name: 2-[(4-bromophenyl)(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-(3-nitrophenyl)ethanone
Smiles: Brc1ccc(cc1)N(C1=NCCCCC1)CC(=O)c1cccc(c1)[N+](=O)[O-]

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Saltdata: HBr
Molecular Weight: 430.3
Empirical Formula: C20H20BrN3O3

Available Amount: 0 mg

Lipinsky:
logP: 4.094
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 78
Number of rings: 3

     

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