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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,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea
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Accession:CHEBI:124893 term browser browse the term
Definition:A dichlorobenzene that has formula C29H35Cl2N5O5.
Synonyms:related_synonym: Formula=C29H35Cl2N5O5;   InChI=1S/C29H35Cl2N5O5/c1-16-12-36(17(2)15-37)28(38)22-11-21(32-29(39)33-27-18(3)34-41-19(27)4)7-9-25(22)40-26(16)14-35(5)13-20-6-8-23(30)24(31)10-20/h6-11,16-17,26,37H,12-15H2,1-5H3,(H2,32,33,39)/t16-,17-,26+/m0/s1;   InChIKey=WFBFGDCPYFNMAV-PVRZRQTBSA-N;   SMILES=C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)O[C@@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@@H](C)CO
 xref: LINCS:LSM-36335



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Term Annotations click to browse term
  CHEBI ontology 26050
    chemical entity 26029
      molecular entity 26007
        polyatomic entity 25892
          heteroatomic molecular entity 25544
            halide 21010
              organohalogen compound 20910
                organochlorine compound 19986
                  chlorobenzenes 15590
                    dichlorobenzene 11999
                      1-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26050
    subatomic particle 26025
      composite particle 26025
        hadron 26025
          baryon 26025
            nucleon 26025
              atomic nucleus 26025
                atom 26025
                  main group element atom 25850
                    p-block element atom 25850
                      carbon group element atom 25447
                        carbon group molecular entity 25447
                          organic molecular entity 25405
                            organic molecule 25233
                              organic cyclic compound 24287
                                organic aromatic compound 23926
                                  benzenoid aromatic compound 20125
                                    benzenes 19823
                                      chlorobenzenes 15590
                                        dichlorobenzene 11999
                                          1-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea 0
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