COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK024590
Chemical Name: 1-benzyl-5-({3-[benzyl(dimethyl)ammonio]propyl}carbamoyl)-2-[(E)-(hydroxyimino)methyl]pyridinium
Smiles: O/N=C/c1ccc(c[n+]1Cc1ccccc1)C(=O)NCCC[N+](Cc1ccccc1)(C)C

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Saltdata: 2 Cl-
Molecular Weight: 432.57
Empirical Formula: C26H32N4O2

Physical State: Dry powder
Available Amount: 839 mg

Lipinsky:
logP: -4.116
Rotatable bonds: 9
H-donors: 2
H-acceptors: 2
PSA: 65
Number of rings: 3

     

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