COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL332753
Chemical Name: 2-{3-oxo-3-[2-(prop-2-yn-1-ylsulfanyl)-1H-benzimidazol-1-yl]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: C#CCSc1nc2c(n1C(=O)CCn1c(=O)c3cccc4c3c(c1=O)ccc4)cccc2

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Molecular Weight: 439.49
Empirical Formula: C25H17N3O3S

Physical State: Dry powder
Available Amount: 228 mg

Lipinsky:
logP: 4.001
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 97
Number of rings: 5

     

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