Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L1FJ4B
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| Ligand Name |
2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile
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| Synonyms |
2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile; CHEMBL3902725; SCHEMBL16886703; BDBM253384; US9458171, 344; VBG
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| Structure |
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Download2D MOL
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| Formula |
C34H30F8N4O5S
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| Canonical SMILES |
CC(=O)N1CCN(CC1)C(=O)N2CCC(C2)(C3=CC=C(C=C3)C(C(F)(F)F)(C(F)(F)F)OCC4=C(C=CC=C4F)C#N)S(=O)(=O)C5=CC=C(C=C5)F
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| InChI |
1S/C34H30F8N4O5S/c1-22(47)44-15-17-45(18-16-44)30(48)46-14-13-31(21-46,52(49,50)27-11-9-26(35)10-12-27)24-5-7-25(8-6-24)32(33(37,38)39,34(40,41)42)51-20-28-23(19-43)3-2-4-29(28)36/h2-12H,13-18,20-21H2,1H3/t31-/m0/s1
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| InChIKey |
QJQIXZIPDHUXKU-HKBQPEDESA-N
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| PubChem Compound ID | ||||
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