COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806909
Chemical Name: 2-[2-(4,5-dimethoxy-2-{[4-(pyridin-2-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)c1ccccn1

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Molecular Weight: 586.67
Empirical Formula: C31H30N4O6S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.738
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 117
Number of rings: 6

     

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