COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL079802
Chemical Name: 4-{3-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}benzoicacid
Smiles: OC(=O)c1ccc(cc1)n1c(CCCn2c(=O)c3cccc4c3c(c2=O)ccc4)n[nH]c1=S

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Molecular Weight: 458.5
Empirical Formula: C24H18N4O4S

Physical State: Dry powder
Available Amount: 42 mg

Lipinsky:
logP: 1.745
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 134
Number of rings: 5

     

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