COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL448377
Chemical Name: 3-{3-[4-(3-chlorophenyl)piperidin-1-yl]-2-hydroxypropyl}-1-phenyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
Smiles: Clc1cccc(c1)C1CCN(CC1)CC(C[n+]1nn(c(c1C(=O)Nc1ccccc1)[O-])c1ccccc1)O

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Molecular Weight: 532.04
Empirical Formula: C29H30ClN5O3

Physical State: Dry powder
Available Amount: 177 mg

Lipinsky:
logP: 0
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 97
Number of rings: 5

     

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