COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL012057
Chemical Name: 5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazole-3-thiolate
Smiles: [S-]c1nnc(n1c1ccccc1)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Saltdata: K+
Molecular Weight: 413.48
Empirical Formula: C23H17N4O2S

Physical State: Dry powder
Available Amount: 170 mg

Lipinsky:
logP: 4.235
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 68
Number of rings: 5

     

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