Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LK45WT
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| Ligand Name |
(6R)-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5H-benzotriazol-4-one
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| Synonyms |
(6R)-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5H-benzotriazol-4-one; B5O
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| Structure |
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Download2D MOL |
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| Formula |
C22H20F3N3O2
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| Canonical SMILES |
CC(C)C1CC2=C(C(=O)C1)N=NN2C3=CC(=C(C(=C3)F)C4=C(C=CC(=C4)CO)F)F
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| InChI |
1S/C22H20F3N3O2/c1-11(2)13-6-19-22(20(30)7-13)26-27-28(19)14-8-17(24)21(18(25)9-14)15-5-12(10-29)3-4-16(15)23/h3-5,8-9,11,13,29H,6-7,10H2,1-2H3/t13-/m1/s1
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| InChIKey |
PDEIRWICIYOXPB-CYBMUJFWSA-N
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| PubChem Compound ID | ||||
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