COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL252780
Chemical Name: 2-({5-[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(furan-2-ylmethyl)acetamide
Smiles: O=C(NCc1ccco1)CSc1nnc(n1c1ccccc1)Cn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 523.57
Empirical Formula: C28H21N5O4S

Physical State: Dry powder
Available Amount: 500 mg

Lipinsky:
logP: 3.895
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 135
Number of rings: 6

     

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