Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L3EN8F
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| Ligand Name |
(1S)-2,2-difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
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| Synonyms |
JAK1/TYK2-IN-1; (1S)-2,2-difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide; CHEMBL4635625; SCHEMBL17512667; US9663526, Example 93; BDBM330010; HY-145336; CS-0371554; R4V
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| Structure |
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Download2D MOL |
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| Formula |
C18H20F3N7O
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| Canonical SMILES |
CC1C2C1(CN(C2)C3=NC(=NC=C3F)NC4=CN(N=C4)C)NC(=O)C5CC5(F)F
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| InChI |
1S/C18H20F3N7O/c1-9-12-7-28(8-17(9,12)26-15(29)11-3-18(11,20)21)14-13(19)5-22-16(25-14)24-10-4-23-27(2)6-10/h4-6,9,11-12H,3,7-8H2,1-2H3,(H,26,29)(H,22,24,25)/t9-,11+,12+,17+/m1/s1
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| InChIKey |
VFTQZQGHFFDMQS-RSNHQYPWSA-N
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| PubChem Compound ID | ||||
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