Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L7LC5T
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| Ligand Name |
2-{8-Fluoro-2-[2-(Hydroxymethyl)-3-(1-Methyl-5-{[5-(4-Methylpiperazin-1-Yl)pyridin-2-Yl]amino}-6-Oxo-1,6-Dihydropyridin-3-Yl)phenyl]-1-Oxo-1,2,3,4-Tetrahydroisoquinolin-6-Yl}-2-Methylpropanenitrile
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| Synonyms |
CHEMBL3358341; 2-{8-Fluoro-2-[2-(Hydroxymethyl)-3-(1-Methyl-5-{[5-(4-Methylpiperazin-1-Yl)pyridin-2-Yl]amino}-6-Oxo-1,6-Dihydropyridin-3-Yl)phenyl]-1-Oxo-1,2,3,4-Tetrahydroisoquinolin-6-Yl}-2-Methylpropanenitrile; SCHEMBL1724771; BDBM50039974; Q27453996; 3P0
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| Structure |
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Download2D MOL |
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| Formula |
C36H38FN7O3
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| Canonical SMILES |
CC(C)(C#N)C1=CC2=C(C(=C1)F)C(=O)N(CC2)C3=CC=CC(=C3CO)C4=CN(C(=O)C(=C4)NC5=NC=C(C=C5)N6CCN(CC6)C)C
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| InChI |
1S/C36H38FN7O3/c1-36(2,22-38)25-16-23-10-11-44(35(47)33(23)29(37)18-25)31-7-5-6-27(28(31)21-45)24-17-30(34(46)42(4)20-24)40-32-9-8-26(19-39-32)43-14-12-41(3)13-15-43/h5-9,16-20,45H,10-15,21H2,1-4H3,(H,39,40)
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| InChIKey |
AGMLIXLHTZGRPZ-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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