Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LAO1W4
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| Ligand Name |
(4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
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| Synonyms |
(4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione; isoquinolinedione, 1; CHEMBL263143; SCHEMBL3564146; SCHEMBL3566753; BDBM28046; DB07156; Q27096072; 6-Bromo-4-[(4-pyrrolidin-1-ylmethyl-phenylamino)-methylene]-4H-isoquinoline-1,3-dione; (4Z)-6-Bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylene)isoquinoline-1,3(2H,4H)-dione; (4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
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| Structure |
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Download2D MOL |
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| Formula |
C21H20BrN3O2
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| Canonical SMILES |
C1CCN(C1)CC2=CC=C(C=C2)N=CC3=C(NC(=O)C4=C3C=C(C=C4)Br)O
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| InChI |
1S/C21H20BrN3O2/c22-15-5-8-17-18(11-15)19(21(27)24-20(17)26)12-23-16-6-3-14(4-7-16)13-25-9-1-2-10-25/h3-8,11-12H,1-2,9-10,13H2,(H2,24,26,27)
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| InChIKey |
RZPRSYVDBXYUML-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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