COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058859
Chemical Name: 2-{1-[2-(3-carbamoylpyridinium-1-yl)ethyl]pyridinium-4-yl}ethanesulfonate
Smiles: NC(=O)c1ccc[n+](c1)CC[n+]1ccc(cc1)CCS(=O)(=O)[O-]

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Saltdata: Br-
Molecular Weight: 336.39
Empirical Formula: C15H18N3O4S

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: -5.22
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 116
Number of rings: 2

     

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