Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L7AKF9
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| Ligand Name |
N-[3-[(5R)-3-azanyl-5-methyl-9,9-bis(oxidanylidene)-2,9$l^{6}-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
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| Synonyms |
BACE1-IN-4; CHEMBL4465534; N-[3-[(5R)-3-azanyl-5-methyl-9,9-bis(oxidanylidene)-2,9$l^{6}-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide; C7O; BDBM50501808; HY-128594; CS-0095992
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| Structure |
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Download2D MOL |
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| Formula |
C21H23F2N5O4S2
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| Canonical SMILES |
CC1(C2(CCS(=O)(=O)CC2)CSC(=N1)N)C3=C(C=CC(=C3)NC(=O)C4=CN=C(C=N4)OCF)F
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| InChI |
1S/C21H23F2N5O4S2/c1-20(21(11-33-19(24)28-20)4-6-34(30,31)7-5-21)14-8-13(2-3-15(14)23)27-18(29)16-9-26-17(10-25-16)32-12-22/h2-3,8-10H,4-7,11-12H2,1H3,(H2,24,28)(H,27,29)/t20-/m1/s1
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| InChIKey |
DZTJZUAOGBUBNK-HXUWFJFHSA-N
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| PubChem Compound ID | ||||
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