COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK542978
Chemical Name: ethyl2-{[({5-[5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)pentyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CSc2nnc(o2)CCCCCn2c(=O)c3cccc4c3c(c2=O)ccc4)sc(c1C)C

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Molecular Weight: 606.72
Empirical Formula: C30H30N4O6S2

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 4.999
Rotatable bonds: 11
H-donors: 1
H-acceptors: 6
PSA: 185
Number of rings: 5

     

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