COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL488443
Chemical Name: 2-(2-{4-[4-(3,4-dimethylphenoxy)-2-hydroxybutyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: OC(CN1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)CCOc1ccc(c(c1)C)C

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Saltdata: 2HCI
Molecular Weight: 501.63
Empirical Formula: C30H35N3O4

Available Amount: 0 mg

Lipinsky:
logP: 3.982
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 73
Number of rings: 5

     

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