COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL489493
Chemical Name: 2-[2-(4-{3-[2-(2,6-dimethylphenoxy)ethoxy]-2-hydroxypropyl}piperazin-1-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: OC(CN1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)COCCOc1c(C)cccc1C

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Saltdata: 2HCI
Molecular Weight: 531.65
Empirical Formula: C31H37N3O5

Available Amount: 0 mg

Lipinsky:
logP: 3.472
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 82
Number of rings: 5

     

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