Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L0RH3M
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| Ligand Name |
Bace1-IN-5
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| Synonyms |
BACE1-IN-5; N-[3-[(4S,6S)-2-azanyl-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide; HY-130244; CS-0105976; C86
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| Structure |
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Download2D MOL |
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| Formula |
C18H16F5N5O2S
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| Canonical SMILES |
CC1(CC(SC(=N1)N)C(F)(F)F)C2=C(C=CC(=C2)NC(=O)C3=CN=C(C=N3)OCF)F
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| InChI |
1S/C18H16F5N5O2S/c1-17(5-13(18(21,22)23)31-16(24)28-17)10-4-9(2-3-11(10)20)27-15(29)12-6-26-14(7-25-12)30-8-19/h2-4,6-7,13H,5,8H2,1H3,(H2,24,28)(H,27,29)/t13-,17-/m0/s1
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| InChIKey |
JRPAQOLQALFUAQ-GUYCJALGSA-N
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| PubChem Compound ID | ||||
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