Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LELU39
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| Ligand Name |
Bace1-IN-6
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| Synonyms |
BACE1-IN-6; 6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile; CHEMBL4760458; SCHEMBL18478569; BDBM372720; US10246429, Example 124; HY-145345; CS-0371672; 6-((Z)-2-(3-((1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-1-fluorovinyl)nicotinonitrile; U64
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| Structure |
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Download2D MOL |
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| Formula |
C25H23F2N5O2S
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| Canonical SMILES |
CC1(C2CC2(SC(=N1)N)C(=O)N3CCOCC3)C4=C(C=CC(=C4)C=C(C5=NC=C(C=C5)C#N)F)F
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| InChI |
1S/C25H23F2N5O2S/c1-24(21-12-25(21,35-23(29)31-24)22(33)32-6-8-34-9-7-32)17-10-15(2-4-18(17)26)11-19(27)20-5-3-16(13-28)14-30-20/h2-5,10-11,14,21H,6-9,12H2,1H3,(H2,29,31)/b19-11-/t21-,24+,25-/m0/s1
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| InChIKey |
VZHFJCNPAIRJSA-MYMUPAQMSA-N
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| PubChem Compound ID | ||||
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