Ketcher 07141603132D 1   1.00000     0.00000     0

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M  END
> <ID>
CHEBI:90626

> <NAME>
AMG-208

> <DEFINITION>
A member of the class of quinolines that is 7-methoxyquinoline substituted at position 4 by a (6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy group. AMG exhibits antitumour activity, particularly in prostate cancer.

> <STAR>
3

> <SYNONYM>
AMG208; AMG 208

> <IUPAC_NAME>
7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline

> <FORMULA>
C22H17N5O2

> <MASS>
383.404

> <MONOISOTOPIC_MASS>
383.13822

> <CHARGE>
0

> <SMILES>
N1=C(C2=CC=CC=C2)C=CC3=NN=C(COC4=C5C(C=C(C=C5)OC)=NC=C4)N13

> <INCHI>
InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3

> <INCHIKEY>
HEAIZQNMNCHNFD-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1002304-34-8

> <CHEMIDPLUS>
1002304-34-8

> <DRUGBANK_ACCESSION>
DB08079

> <PDBECHEM_ACCESSION>
L5G

> <PUBMED_CITATION>
18426196; 26155941

$$$$