COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK599264
Chemical Name: (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione
Smiles: Cc1cccc(n1)N1C(=O)/C(=C/Nc2ccc3c(c2)OCO3)/c2c(C1=O)cccc2

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Molecular Weight: 399.41
Empirical Formula: C23H17N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.007
Rotatable bonds: 0
H-donors: 1
H-acceptors: 4
PSA: 80
Number of rings: 5

     

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