COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL489259
Chemical Name: methyl4-(3-{4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]piperazin-1-yl}-2-hydroxypropoxy)benzoate
Smiles: COC(=O)c1ccc(cc1)OCC(CN1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)O

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Molecular Weight: 517.58
Empirical Formula: C29H31N3O6

Available Amount: 0 mg

Lipinsky:
logP: 2.57
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 99
Number of rings: 5

     

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