Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LLJ2Y9
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| Ligand Name |
6-Fluoro-4-[(3ar,6ar)-Hexahydropyrrolo[3,4-B]pyrrol-5(1h)-Yl]-N-Methyl-2-[(2-Methylpyrimidin-5-Yl)oxy]-9h-Pyrimido[4,5-B]indol-8-Amine
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| Synonyms |
CHEMBL4165664; 6-Fluoro-4-[(3ar,6ar)-Hexahydropyrrolo[3,4-B]pyrrol-5(1h)-Yl]-N-Methyl-2-[(2-Methylpyrimidin-5-Yl)oxy]-9h-Pyrimido[4,5-B]indol-8-Amine; DOO; SCHEMBL12523536; BDBM50408204; Q27459662
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| Structure |
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Download2D MOL |
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| Formula |
C22H23FN8O
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| Canonical SMILES |
CC1=NC=C(C=N1)OC2=NC3=C(C4=C(N3)C(=CC(=C4)F)NC)C(=N2)N5CC6CCNC6C5
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| InChI |
1S/C22H23FN8O/c1-11-26-7-14(8-27-11)32-22-29-20-18(15-5-13(23)6-16(24-2)19(15)28-20)21(30-22)31-9-12-3-4-25-17(12)10-31/h5-8,12,17,24-25H,3-4,9-10H2,1-2H3,(H,28,29,30)/t12-,17+/m1/s1
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| InChIKey |
ACMIJDVJWLMBCX-PXAZEXFGSA-N
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| PubChem Compound ID | ||||
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