COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045930
Chemical Name: 1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-2-hydroxy-1,2,3,5,6,7,8,9-octahydroimidazo[1,2-a]azepin-4-ium
Smiles: Brc1ccc(cc1)C1(O)C[N+]2=C(N1c1ccc3c(c1)OCO3)CCCCC2

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Saltdata: Br-
Molecular Weight: 430.32
Empirical Formula: C21H22BrN2O3

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 0
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 44
Number of rings: 5

     

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