COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807922
Chemical Name: 2-(3-{[5-(1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: Cn1c(SCCCn2c(=O)c3cccc4c3c(c2=O)ccc4)nnc1c1ccc2c(c1)OCO2

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Molecular Weight: 472.52
Empirical Formula: C25H20N4O4S

Physical State: Dry powder
Available Amount: 89 mg

Lipinsky:
logP: 3.77
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 111
Number of rings: 6

     

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