Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L3Q1OW
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| Ligand Name |
Umibecestat
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| Synonyms |
Umibecestat; Umibecestat [INN]; Umibecestat [USAN]; 1387560-01-1; NVP-CNP520-NXA; CNP520-NXA; 4612B80545; 2-Pyridinecarboxamide, N-(6-((3R,6R)-5-amino-3,6-dihydro-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl)-5-fluoro-2-pyridinyl)-3-chloro-5-(trifluoromethyl)-; N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide; NVPCNP520NXA; Umibecestat (USAN/INN); Umibecestat [USAN:INN]; CNP520NXA; CHEMBL3670375; SCHEMBL10382672; CNP-520; BDBM116257; EX-A6894; UNII-4612B80545; WHO 10872; HY-119689; CS-0077817; D11690; US8637508, 34; BUH; N-{6-[(3R,6R)-5-Amino-3,6-dimethyl-6-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl}-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
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| Structure |
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Download2D MOL |
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| Formula |
C19H15ClF7N5O2
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| Canonical SMILES |
CC1(COC(C(=N1)N)(C)C(F)(F)F)C2=C(C=CC(=N2)NC(=O)C3=C(C=C(C=N3)C(F)(F)F)Cl)F
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| InChI |
1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1
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| InChIKey |
PSBBWFNMHDUTRH-DLBZAZTESA-N
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| PubChem Compound ID | ||||
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