COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL444013
Chemical Name: methyl4-[({5-[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)CSc1nnc(n1c1ccccc1)Cn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 534.6
Empirical Formula: C30H22N4O4S

Physical State: Dry powder
Available Amount: 181 mg

Lipinsky:
logP: 5.727
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 119
Number of rings: 6

     

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