COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL444775
Chemical Name: 2-[3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: S=c1[nH]nc(n1c1ccccc1)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 414.49
Empirical Formula: C23H18N4O2S

Physical State: Dry powder
Available Amount: 171 mg

Lipinsky:
logP: 2.069
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 97
Number of rings: 5

     

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