COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK543179
Chemical Name: methyl2-{[({5-[5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)pentyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}benzoate
Smiles: COC(=O)c1ccccc1NC(=O)CSc1nnc(o1)CCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 558.61
Empirical Formula: C29H26N4O6S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 3.565
Rotatable bonds: 10
H-donors: 1
H-acceptors: 6
PSA: 157
Number of rings: 5

     

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