COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL489340
Chemical Name: 2-[2-(4-{2-sulfanyl-3-[(3,4,5-trimethoxybenzyl)oxy]propyl}piperazin-1-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: COc1cc(COCC(CN2CCN(CC2)CCn2c(=O)c3cccc4c3c(c2=O)ccc4)S)cc(c1OC)OC

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Saltdata: 2HCI
Molecular Weight: 579.72
Empirical Formula: C31H37N3O6S

Available Amount: 0 mg

Lipinsky:
logP: 3.165
Rotatable bonds: 8
H-donors: 0
H-acceptors: 6
PSA: 119
Number of rings: 5

     

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