COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150179
Chemical Name: 2-(9-benzyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ium-2-yl)phenolate
Smiles: [O-]c1ccccc1c1nn2c(n1)c1c(nc2)sc2c1CC[NH+](C2)Cc1ccccc1

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Molecular Weight: 413.5
Empirical Formula: C23H19N5OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.711
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 98
Number of rings: 6

     

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