COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL229246
Chemical Name: 1-(3-nitrophenyl)-2-{3,4,5,6-tetrahydro-2H-azepin-7-yl[3-(trifluoromethyl)phenyl]amino}ethanone
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])CN(c1cccc(c1)C(F)(F)F)C1=NCCCCC1

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Saltdata: HBr
Molecular Weight: 419.4
Empirical Formula: C21H20F3N3O3

Available Amount: 0 mg

Lipinsky:
logP: 4.224
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 78
Number of rings: 3

     

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