COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK839713
Chemical Name: 2-(4-oxo-4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}butyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=C(N1CCN(CC1)C/C=C/c1ccccc1)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Saltdata: HCl
Molecular Weight: 467.57
Empirical Formula: C29H29N3O3

Physical State: Dry powder
Available Amount: 337 mg

Lipinsky:
logP: 3.337
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 60
Number of rings: 5

     

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