COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806708
Chemical Name: 2-{4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxobutyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 485.54
Empirical Formula: C28H27N3O5

Physical State: Dry powder
Available Amount: 83 mg

Lipinsky:
logP: 2.511
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 79
Number of rings: 6

     

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