COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL489172
Chemical Name: 2-(2-{4-[3-(2-acetylphenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: OC(CN1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)COc1ccccc1C(=O)C

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Molecular Weight: 501.58
Empirical Formula: C29H31N3O5

Available Amount: 0 mg

Lipinsky:
logP: 2.18
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 90
Number of rings: 5

     

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