COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL271869
Chemical Name: 1-(4-bromophenyl)-2-{3,4,5,6-tetrahydro-2H-azepin-7-yl[3-(trifluoromethyl)phenyl]amino}ethanone
Smiles: Brc1ccc(cc1)C(=O)CN(c1cccc(c1)C(F)(F)F)C1=NCCCCC1

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Saltdata: HBr
Molecular Weight: 453.3
Empirical Formula: C21H20BrF3N2O

Available Amount: 0 mg

Lipinsky:
logP: 5.164
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 32
Number of rings: 3

     

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