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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:(S)-iclaprim
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Accession:CHEBI:131753 term browser browse the term
Definition:A 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine in which the chiral centre has S configuration.
Synonyms:exact_synonym: 5-{[(2S)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine
 related_synonym: AR-102;   Formula=C19H22N4O3;   InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)/t14-/m1/s1;   InChIKey=HWJPWWYTGBZDEG-CQSZACIVSA-N;   SMILES=C=1(C(=CN=C(N1)N)CC=2C=3C=C[C@@](OC3C(=C(C2)OC)OC)(C4CC4)[H])N
 xref: PMID:19622858;   Reaxys:20535807
 cyclic_relationship: is_enantiomer_of CHEBI:131752


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    role 19869
      biological role 19867
        antimicrobial agent 18269
          antibacterial agent 16385
            antibacterial drug 7406
              (S)-iclaprim 0
                iclaprim 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    main group molecular entity 19835
                      s-block molecular entity 19669
                        hydrogen molecular entity 19651
                          hydrides 19162
                            inorganic hydride 18183
                              pnictogen hydride 18173
                                nitrogen hydride 18086
                                  azane 17891
                                    ammonia 17890
                                      organic amino compound 17890
                                        aromatic amine 15506
                                          aminopyrimidine 2024
                                            5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine 0
                                              (S)-iclaprim 0
                                                iclaprim 0
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