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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:1-[[(2S,3R)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
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Accession:CHEBI:108772 term browser browse the term
Definition:A naphthalene that has formula C29H36N4O4.
Synonyms:related_synonym: Formula=C29H36N4O4;   InChI=1S/C29H36N4O4/c1-19-16-33(20(2)18-34)28(35)23-13-9-15-25(31(3)4)27(23)37-26(19)17-32(5)29(36)30-24-14-8-11-21-10-6-7-12-22(21)24/h6-15,19-20,26,34H,16-18H2,1-5H3,(H,30,36)/t19-,20+,26-/m1/s1;   InChIKey=QINKYHPKCUNNMN-BVFVYWQFSA-N;   SMILES=C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)N(C)C)O[C@@H]1CN(C)C(=O)NC3=CC=CC4=CC=CC=C43)[C@@H](C)CO
 xref: LINCS:LSM-20171


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Term Annotations click to browse term
  CHEBI ontology 19848
    chemical entity 19846
      molecular entity 19846
        polyatomic entity 19803
          molecule 19705
            cyclic compound 19519
              bicyclic compound 17300
                carbobicyclic compound 5883
                  naphthalenes 3848
                    1-[[(2S,3R)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    p-block element atom 19796
                      carbon group element atom 19741
                        carbon atom 19737
                          organic molecular entity 19737
                            organic molecule 19690
                              organic cyclic compound 19501
                                carbocyclic compound 18588
                                  carbopolycyclic compound 17183
                                    carbobicyclic compound 5883
                                      naphthalenes 3848
                                        1-[[(2S,3R)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea 0
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