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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 23810
    chemical entity 23773
      atom 23761
        nonmetal atom 23411
          nitrogen atom 20391
            nitrogen molecular entity 20391
              organonitrogen compound 20099
                organonitrogen heterocyclic compound 18601
                  isoquinolines 430
                    (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 23810
    subatomic particle 23761
      composite particle 23761
        hadron 23761
          baryon 23761
            nucleon 23761
              atomic nucleus 23761
                atom 23761
                  main group element atom 23578
                    p-block element atom 23578
                      chalcogen 22811
                        oxygen atom 22776
                          oxygen molecular entity 22776
                            hydroxides 22012
                              oxoacid 21205
                                chalcogen oxoacid 12124
                                  sulfur oxoacid 11678
                                    sulfonic acid 7600
                                      sulfonic acid derivative 7600
                                        sulfonamide 3191
                                          N-sulfonyldiazepane 93
                                            (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane 0
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