COMPOUNDS FOR BIOLOGICAL SCREENING
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Vitas-M Lab ID: STL147106
Chemical Name: 1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyridinium
Smiles: COc1ccc(cc1)C(=O)C[n+]1ccc(cc1)c1nnc2n1CCCCC2

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Saltdata: Cl-
Molecular Weight: 363.44
Empirical Formula: C21H23N4O2

Physical State: Dry powder
Available Amount: 188 mg

Lipinsky:
logP: -1.42
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 60
Number of rings: 4

     

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