COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL271883
Chemical Name: 2-[(2,5-dimethoxyphenyl)(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-(4-nitrophenyl)ethanone
Smiles: COc1ccc(c(c1)N(C1=NCCCCC1)CC(=O)c1ccc(cc1)[N+](=O)[O-])OC

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Saltdata: HBr
Molecular Weight: 411.46
Empirical Formula: C22H25N3O5

Available Amount: 0 mg

Lipinsky:
logP: 2.435
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 96
Number of rings: 3

     

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