COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL271622
Chemical Name: 1-(4-methylphenyl)-2-[(3-nitrophenyl)(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]ethanone
Smiles: Cc1ccc(cc1)C(=O)CN(c1cccc(c1)[N+](=O)[O-])C1=NCCCCC1

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Saltdata: HBr
Molecular Weight: 365.43
Empirical Formula: C21H23N3O3

Available Amount: 0 mg

Lipinsky:
logP: 3.857
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 78
Number of rings: 3

     

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