COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL112135
Chemical Name: 2-[(2Z)-2-(4-chlorophenyl)-5,6,7,8-tetrahydro-1,3-diazocin-1(4H)-yl]-1-(3-nitrophenyl)ethanone
Smiles: Clc1ccc(cc1)C1=NCCCCCN1CC(=O)c1cccc(c1)[N+](=O)[O-]

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Saltdata: HBr
Molecular Weight: 385.85
Empirical Formula: C20H20ClN3O3

Physical State: Dry powder
Available Amount: 113 mg

Lipinsky:
logP: 3.442
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 78
Number of rings: 3

     

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