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ONTOLOGY REPORT - ANNOTATIONS


Term:(S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane
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Accession:CHEBI:88220 term browser browse the term
Definition:A member of the class of isoquinolines that is the sulfonamide formed by the formal condensation of the sulfo group of 4-methylisoquinoline-5-sulfonic acid with the 1-amino group of (S)-2-methyl-1,4-diazepane.
Synonyms:exact_synonym: 4-methyl-5-[(2S)-2-methyl-1,4-diazepane-1-sulfonyl]isoquinoline
 related_synonym: (S)-(+)-2-methyl-1-[(4-methyl-5-isoquinolinyl)sulfonyl]homopiperazine;   4-methyl-5-{[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl}isoquinoline;   Formula=C16H21N3O2S;   H 1152;   H1152;   InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1;   InChIKey=AWDORCFLUJZUQS-ZDUSSCGKSA-N;   SMILES=N1=CC2=C(C(=C1)C)C(=CC=C2)S(N3[C@H](CNCCC3)C)(=O)=O;   dimethyl fasudil
 alt_id: CHEBI:42923
 xref: PDBeChem:H52;   PMID:23065705;   PMID:25130721;   PMID:25816133;   PMID:26227060;   PMID:26236689;   Reaxys:10182519
 cyclic_relationship: is_conjugate_base_of CHEBI:138382


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  CHEBI ontology 19770
    chemical entity 19769
      atom 19768
        nonmetal atom 19641
          nitrogen atom 18449
            nitrogen molecular entity 18449
              organonitrogen compound 18249
                organonitrogen heterocyclic compound 17217
                  isoquinolines 425
                    (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19653
                    p-block element atom 19653
                      chalcogen 19360
                        oxygen atom 19321
                          oxygen molecular entity 19321
                            hydroxides 19079
                              oxoacid 18172
                                chalcogen oxoacid 11462
                                  sulfur oxoacid 11058
                                    sulfonic acid 7305
                                      sulfonic acid derivative 7305
                                        sulfonamide 3147
                                          N-sulfonyldiazepane 93
                                            (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane 0
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