COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK841041
Chemical Name: 2-(2-{4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: COc1cc(CCn2c(=O)c3cccc4c3c(c2=O)ccc4)c(cc1OC)S(=O)(=O)N1CCC(CC1)C

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Molecular Weight: 522.62
Empirical Formula: C28H30N2O6S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 4.784
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 101
Number of rings: 5

     

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