COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK839686
Chemical Name: ethyl2-({[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoyl]carbamothioyl}amino)-4,5-dimethylthiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NC(=O)CCCn2c(=O)c3cccc4c3c(c2=O)ccc4)sc(c1C)C

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Molecular Weight: 523.63
Empirical Formula: C26H25N3O5S2

Physical State: Dry powder
Available Amount: 378 mg

Lipinsky:
logP: 5.418
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 165
Number of rings: 4

     

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