COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL004032
Chemical Name: 1-(1,3-benzodioxol-5-yl)-2-(4-ethoxyphenyl)-2-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Smiles: CCOc1ccc(cc1)C1(O)CN2C(=[N+]1c1ccc3c(c1)OCO3)CCCCC2

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Saltdata: Br-
Molecular Weight: 395.48
Empirical Formula: C23H27N2O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 54
Number of rings: 5

     

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