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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 21269
    chemical entity 21267
      atom 21265
        nonmetal atom 21109
          nitrogen atom 18756
            nitrogen molecular entity 18756
              organonitrogen compound 18694
                organonitrogen heterocyclic compound 17463
                  isoquinolines 426
                    (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane 0
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Term Annotations click to browse term
  CHEBI ontology 21269
    subatomic particle 21265
      composite particle 21265
        hadron 21265
          baryon 21265
            nucleon 21265
              atomic nucleus 21265
                atom 21265
                  main group element atom 21134
                    p-block element atom 21134
                      chalcogen 20177
                        oxygen atom 20164
                          oxygen molecular entity 20164
                            hydroxides 19776
                              oxoacid 19110
                                chalcogen oxoacid 11805
                                  sulfur oxoacid 11398
                                    sulfonic acid 7419
                                      sulfonic acid derivative 7419
                                        sulfonamide 3182
                                          N-sulfonyldiazepane 93
                                            (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane 0
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