Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LEL50W
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| Ligand Name |
Khk-IN-2
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| Synonyms |
KHK-IN-2; CHEMBL4070442; 6-[(3s,4s)-3,4-Dihydroxypyrrolidin-1-Yl]-2-[(3s)-3-Hydroxy-3-Methylpyrrolidin-1-Yl]-4-(Trifluoromethyl)pyridine-3-Carbonitrile; SCHEMBL21206438; BDBM50241178; HY-103478; CS-0027982; A4J
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| Structure |
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Download2D MOL |
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| Formula |
C16H19F3N4O3
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| Canonical SMILES |
CC1(CCN(C1)C2=C(C(=CC(=N2)N3CC(C(C3)O)O)C(F)(F)F)C#N)O
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| InChI |
1S/C16H19F3N4O3/c1-15(26)2-3-22(8-15)14-9(5-20)10(16(17,18)19)4-13(21-14)23-6-11(24)12(25)7-23/h4,11-12,24-26H,2-3,6-8H2,1H3/t11-,12-,15-/m0/s1
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| InChIKey |
FAXXYODRCHXHTQ-HUBLWGQQSA-N
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| PubChem Compound ID | ||||
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