Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L3L9DR
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| Ligand Name |
methyl ~{N}-[4-aminocarbonyl-1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[(4-ethenyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-3-fluoranyl-piperidin-4-yl]pyrazol-3-yl]carbamate
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| Synonyms |
methyl ~{N}-[4-aminocarbonyl-1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[(4-ethenyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-3-fluoranyl-piperidin-4-yl]pyrazol-3-yl]carbamate; KHH
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| Structure |
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Download2D MOL |
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| Formula |
C22H24F2N6O4
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| Canonical SMILES |
COC(=O)NC1=NN(C=C1C(=O)N)C2(CCN(CC2F)CC3=CC(=C(C=C3F)C=C)O)CC#N
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| InChI |
1S/C22H24F2N6O4/c1-3-13-8-16(23)14(9-17(13)31)10-29-7-5-22(4-6-25,18(24)12-29)30-11-15(19(26)32)20(28-30)27-21(33)34-2/h3,8-9,11,18,31H,1,4-5,7,10,12H2,2H3,(H2,26,32)(H,27,28,33)/t18-,22+/m1/s1
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| InChIKey |
KNQPQNPPLBJXJR-GCJKJVERSA-N
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| PubChem Compound ID | ||||
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