CHEBI ONTOLOGY - ANNOTATIONS
The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/ . The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/ ). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term: (2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-7-pyridin-4-yl-1-(pyridin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
Accession: CHEBI:100178
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Definition: A bipyridine that has formula C25H24F3N5O3.
Synonyms: related_synonym: Formula=C25H24F3N5O3; InChI=1S/C25H24F3N5O3/c26-25(27,28)14-31-23(35)22-19(13-34)18-12-32-20(21(18)33(22)11-15-3-7-29-8-4-15)2-1-17(24(32)36)16-5-9-30-10-6-16/h1-10,18-19,21-22,34H,11-14H2,(H,31,35)/t18-,19-,21+,22-/m1/s1; InChIKey=VFFISKNUVGRLDD-KRXUUXHPSA-N; SMILES=C1[C@@H]2[C@H]([C@@H](N([C@@H]2C3=CC=C(C(=O)N31)C4=CC=NC=C4)CC5=CC=NC=C5)C(=O)NCC(F)(F)F)CO
xref: LINCS:LSM-11555
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Path 1
CHEBI ontology
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chemical entity
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molecular entity
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polyatomic entity
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molecule
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cyclic compound
19583
ring assembly
9187
bipyridines
4249
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-7-pyridin-4-yl-1-(pyridin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
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Path 2
CHEBI ontology
19918
subatomic particle
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composite particle
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hadron
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baryon
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nucleon
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atomic nucleus
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atom
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main group element atom
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p-block element atom
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carbon group element atom
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carbon atom
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organic molecular entity
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organic molecule
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organic cyclic compound
19565
organic heterocyclic compound
18906
organonitrogen heterocyclic compound
18192
bipyridines
4249
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-7-pyridin-4-yl-1-(pyridin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
0