COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL444016
Chemical Name: methyl4-[({5-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Smiles: C=CCn1c(nnc1CCn1c(=O)c2cccc3c2c(c1=O)ccc3)SCc1ccc(cc1)C(=O)OC

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Molecular Weight: 512.59
Empirical Formula: C28H24N4O4S

Physical State: Dry powder
Available Amount: 69 mg

Lipinsky:
logP: 4.534
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 119
Number of rings: 5

     

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