COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806660
Chemical Name: 2-{4-oxo-4-[2-(prop-2-yn-1-ylsulfanyl)-1H-benzimidazol-1-yl]butyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: C#CCSc1nc2c(n1C(=O)CCCn1c(=O)c3cccc4c3c(c1=O)ccc4)cccc2

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Molecular Weight: 453.52
Empirical Formula: C26H19N3O3S

Physical State: Dry powder
Available Amount: 89 mg

Lipinsky:
logP: 4.218
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 97
Number of rings: 5

     

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