COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807886
Chemical Name: 2-[3-({5-[(1,3-benzodioxol-5-yloxy)methyl]-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)nnc1COc1ccc2c(c1)OCO2

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Molecular Weight: 502.55
Empirical Formula: C26H22N4O5S

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 3.646
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 121
Number of rings: 6

     

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