COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK840399
Chemical Name: 2-(2-{4-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: COc1cc(/C=C/C(=O)N2CCN(CC2)CCn2c(=O)c3cccc4c3c(c2=O)ccc4)cc(c1OC)OC

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Molecular Weight: 529.59
Empirical Formula: C30H31N3O6

Physical State: Dry powder
Available Amount: 395 mg

Lipinsky:
logP: 2.493
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 88
Number of rings: 5

     

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