COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL326656
Chemical Name: 1-{6-[(2-amino-2-oxoethyl)sulfanyl]-2-(4-bromophenyl)-5-cyano-2-hydroxy-4-phenyl-1,2,3,4-tetrahydropyridin-3-yl}-3-hydroxypyridinium
Smiles: N#CC1=C(SCC(=O)N)NC(C(C1c1ccccc1)[n+]1cccc(c1)O)(O)c1ccc(cc1)Br

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Saltdata: Cl-
Molecular Weight: 538.44
Empirical Formula: C25H22BrN4O3S

Available Amount: 0 mg

Lipinsky:
logP: 1.809
Rotatable bonds: 6
H-donors: 5
H-acceptors: 3
PSA: 148
Number of rings: 4

     

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