Ketcher 08042310522D 1   1.00000     0.00000     0

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M  END
> <ID>
CHEBI:195521

> <NAME>
leucettine L41

> <DEFINITION>
A member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a (2-anilino-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene)methyl group at position 5. It is an inhibitor of DYRK1A, DYRK2, CLK1, and CLK3 (IC50s = 0.04, 0.035, 0.015, and 4.5 μM, respectively).

> <STAR>
3

> <IUPAC_NAME>
(5Z)-2-anilino-5-(1,3-benzodioxol-5-ylmethylidene)-3,5-dihydro-4H-imidazol-4-one

> <FORMULA>
C17H13N3O3

> <MASS>
307.309

> <MONOISOTOPIC_MASS>
307.09569

> <CHARGE>
0

> <SMILES>
O=C1NC(NC2=CC=CC=C2)=N\C1=C/C1=CC2=C(OCO2)C=C1

> <INCHI>
InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)/b13-8-

> <INCHIKEY>
PGPHHJBZEGSUNE-JYRVWZFOSA-N

> <CAS_REGISTRY_NUMBER>
1112978-84-3

> <PUBMED_CITATION>
21615147; 22998443; 23454515; 24366666; 25264830; 26381812; 30115750; 30885273; 31861110; 34090874; 35841249; 37195917

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