Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L9XHU5
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| Ligand Name |
(2S)-6-(2,4-Diamino-6-ethylpyrimidin-5-YL)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one
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| Synonyms |
(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE; UA4; Q27466829
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| Structure |
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Download2D MOL |
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| Formula |
C25H27F2N5O3
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| Canonical SMILES |
CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)OC(C(=O)N3CCCOC)(C)C4=CC(=CC(=C4)F)F
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| InChI |
1S/C25H27F2N5O3/c1-4-18-21(22(28)31-24(29)30-18)14-6-7-20-19(10-14)32(8-5-9-34-3)23(33)25(2,35-20)15-11-16(26)13-17(27)12-15/h6-7,10-13H,4-5,8-9H2,1-3H3,(H4,28,29,30,31)/t25-/m0/s1
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| InChIKey |
UAXNNGUDPWZOKX-VWLOTQADSA-N
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| PubChem Compound ID | ||||
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