COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL489288
Chemical Name: 2-(2-{4-[3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: OC(CN1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)COc1ccc(cc1)Br

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Saltdata: 2HCI
Molecular Weight: 538.44
Empirical Formula: C27H28BrN3O4

Available Amount: 0 mg

Lipinsky:
logP: 3.465
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 73
Number of rings: 5

     

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