COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL489341
Chemical Name: 2-(2-{4-[3-(benzyloxy)-2-sulfanylpropyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: SC(CN1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)COCc1ccccc1

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Saltdata: 2HCI
Molecular Weight: 489.64
Empirical Formula: C28H31N3O3S

Available Amount: 0 mg

Lipinsky:
logP: 3.726
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 91
Number of rings: 5

     

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