COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK541891
Chemical Name: 2-{2-[4,5-dimethoxy-2-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-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)N1CCN(CC1)C/C=C/c1ccccc1

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Molecular Weight: 625.75
Empirical Formula: C35H35N3O6S

Physical State: Dry powder
Available Amount: 155 mg

Lipinsky:
logP: 5.685
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 104
Number of rings: 6

     

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