COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058069
Chemical Name: (2Z)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-N-hexylethanethioamide
Smiles: CCCCCCNC(=S)/C=C/1\NCCc2c1cc1OCOc1c2

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Molecular Weight: 332.47
Empirical Formula: C18H24N2O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.84
Rotatable bonds: 6
H-donors: 2
H-acceptors: 2
PSA: 74
Number of rings: 3

     

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