COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL477451
Chemical Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-(4-nitrophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-1-iumbromide
Smiles: O=C(c1ccc2c(c1)OCCO2)C[n+]1nc(n2c1CCCCC2)c1ccc(cc1)N(=O)=O.[Br-]

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Molecular Weight: 515.36
Empirical Formula: C23H23BrN4O5

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 103
Number of rings: 5

     

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