COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL281709
Chemical Name: 1-[2-(3-bromophenyl)-2-oxoethyl]-4-[(3-hydroxypropyl)carbamoyl]pyridiniumbromide
Smiles: OCCCNC(=O)c1cc[n+](cc1)CC(=O)c1cccc(c1)Br.[Br-]

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Molecular Weight: 458.15
Empirical Formula: C17H18Br2N2O3

Available Amount: 0 mg

Lipinsky:
logP: 0
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 70
Number of rings: 2

     

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