COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK593373
Chemical Name: (2Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(5-nitrothiophen-2-yl)ethanone
Smiles: COc1cc2/C(=C/C(=O)c3ccc(s3)[N+](=O)[O-])/NCCc2cc1OC

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Molecular Weight: 360.39
Empirical Formula: C17H16N2O5S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 2.909
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 121
Number of rings: 3

     

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