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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 19642
          nitrogen atom 18437
            nitrogen molecular entity 18437
              organonitrogen compound 18232
                organonitrogen heterocyclic compound 17207
                  isoquinolines 424
                    (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 19655
                    p-block element atom 19655
                      chalcogen 19356
                        oxygen atom 19319
                          oxygen molecular entity 19319
                            hydroxides 19063
                              oxoacid 18157
                                chalcogen oxoacid 11478
                                  sulfur oxoacid 11078
                                    sulfonic acid 7311
                                      sulfonic acid derivative 7311
                                        sulfonamide 3169
                                          N-sulfonyldiazepane 93
                                            (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane 0
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