COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK572041
Chemical Name: (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione
Smiles: O=C1/C(=C/Nc2ccc3c(c2)OCO3)/c2ccccc2C(=O)N1c1cccc(c1)C(F)(F)F

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Molecular Weight: 452.39
Empirical Formula: C24H15F3N2O4

Physical State: Dry powder
Available Amount: 193 mg

Lipinsky:
logP: 4.611
Rotatable bonds: 0
H-donors: 1
H-acceptors: 4
PSA: 67
Number of rings: 5

     

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