COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806690
Chemical Name: 2-(2-{4-[(2,4,6-trimethylphenyl)sulfonyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: Cc1cc(C)c(c(c1)C)S(=O)(=O)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 491.61
Empirical Formula: C27H29N3O4S

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 4.156
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 86
Number of rings: 5

     

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