COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL012061
Chemical Name: ({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)aceticacid
Smiles: C=CCn1c(CCCn2c(=O)c3cccc4c3c(c2=O)ccc4)nnc1SCC(=O)O

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Molecular Weight: 436.49
Empirical Formula: C22H20N4O4S

Physical State: Dry powder
Available Amount: 5 mg

Lipinsky:
logP: 2.634
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 130
Number of rings: 4

     

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