COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806897
Chemical Name: 2-(2-{2-[(4-benzylpiperazin-1-yl)sulfonyl]-4,5-dimethoxyphenyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: COc1cc(CCn2c(=O)c3cccc4c3c(c2=O)ccc4)c(cc1OC)S(=O)(=O)N1CCN(CC1)Cc1ccccc1

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Molecular Weight: 599.71
Empirical Formula: C33H33N3O6S

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 5.006
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 104
Number of rings: 6

     

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