Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
L9KL0N
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Ligand Name |
FXIa inhibitor 3f
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Synonyms |
FXIa inhibitor 3f; FXIa-IN-10; FXIa-IN-3f; GTPL12133; GLXC-26198; HY-151196; CS-0608349; (R)-5-(3-Chloro-6-(4-chloro-1H-1,2,3-triazol-1-yl)-2-fluorophenyl)-2-(3-(difluoromethoxy)-1-(4-(1-methyl-1H-1,2,3-triazol-5-yl)-1H-pyrazol-1-yl)propyl)pyridine 1-oxide; 2-[(1~{R})-3-[bis(fluoranyl)methoxy]-1-[4-(3-methyl-1,2,3-triazol-4-yl)pyrazol-1-yl]propyl]-5-[3-chloranyl-6-(4-chloranyl-1,2,3-triazol-1-yl)-2-fluoranyl-phenyl]-1-oxidanyl-pyridine; 5-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-2-[(1R)-3-(difluoromethoxy)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]propyl]-1-oxidopyridin-1-ium
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Structure |
Download2D MOL |
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Formula |
C23H18Cl2F3N9O2
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Canonical SMILES |
CN1C(=CN=N1)C2=CN(N=C2)C(CCOC(F)F)C3=[N+](C=C(C=C3)C4=C(C=CC(=C4F)Cl)N5C=C(N=N5)Cl)[O-]
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InChI |
1S/C23H18Cl2F3N9O2/c1-34-19(9-29-32-34)14-8-30-35(10-14)16(6-7-39-23(27)28)17-4-2-13(11-37(17)38)21-18(5-3-15(24)22(21)26)36-12-20(25)31-33-36/h2-5,8-12,16,23H,6-7H2,1H3/t16-/m1/s1
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InChIKey |
BETDGMHNHGHORO-MRXNPFEDSA-N
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PubChem Compound ID |
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