COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042972
Chemical Name: (2Z)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-N-(2-phenylethyl)ethanethioamide
Smiles: S=C(/C=C/1\NCCc2c1cc1OCOc1c2)NCCc1ccccc1

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Molecular Weight: 352.46
Empirical Formula: C20H20N2O2S

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 4.375
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 74
Number of rings: 4

     

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