COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL079800
Chemical Name: ethyl4-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-1,3,4-thiadiazol-2-yl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1nnc(s1)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 486.55
Empirical Formula: C26H22N4O4S

Physical State: Dry powder
Available Amount: 89 mg

Lipinsky:
logP: 3.614
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 129
Number of rings: 5

     

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