COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL264940
Chemical Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-1-ium
Smiles: Cc1ccc(c(c1)OCc1n[n+](c2n1CCCCC2)CC(=O)c1ccc2c(c1)OCCO2)C(C)C

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Saltdata: Br-
Molecular Weight: 476.6
Empirical Formula: C28H34N3O4

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 66
Number of rings: 5

     

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