COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK542036
Chemical Name: 2-(2-{4-[(3,4,5-trimethoxyphenyl)carbonyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: COc1cc(cc(c1OC)OC)C(=O)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 503.55
Empirical Formula: C28H29N3O6

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 2.975
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 88
Number of rings: 5

     

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