Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LBM0Y9
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| Ligand Name |
1-(1~{H}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{S})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one
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| Synonyms |
1-(1~{H}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{S})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one; SCHEMBL19210913; BDBM438227; US10618897, Example 80; DJW
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| Structure |
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Download2D MOL |
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| Formula |
C27H27F3N6O4
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| Canonical SMILES |
COC1=NC2=C(C=C1)N(C(=O)C23CCN(CC3)C(=O)C4=CC5=C(C=C4)NN=C5)CC(=O)N6CCCC6C(F)(F)F
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| InChI |
1S/C27H27F3N6O4/c1-40-21-7-6-19-23(32-21)26(25(39)36(19)15-22(37)35-10-2-3-20(35)27(28,29)30)8-11-34(12-9-26)24(38)16-4-5-18-17(13-16)14-31-33-18/h4-7,13-14,20H,2-3,8-12,15H2,1H3,(H,31,33)/t20-/m0/s1
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| InChIKey |
ZILKCBIBRQZYMB-FQEVSTJZSA-N
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| PubChem Compound ID | ||||
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