COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL264425
Chemical Name: 3-(3,4-dichlorophenyl)-1-(4-nitrobenzyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium
Smiles: Clc1cc(ccc1Cl)c1c[n+](c2n1CCCCC2)Cc1ccc(cc1)[N+](=O)[O-]

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Saltdata: HBr
Molecular Weight: 417.31
Empirical Formula: C21H20Cl2N3O2

Physical State: Dry powder
Available Amount: 229 mg

Lipinsky:
logP: 0
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 54
Number of rings: 4

     

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