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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/dinto_DB07796
http://purl.obolibrary.org/obo/dinto_DB07796
|
|---|---|
| Preferred Name | (3asr,4rs,8asr,8brs)-4-(2-(4-fluorobenzyl)-1,3-dioxodeacahydropyrrolo[3,4-a] pyrrolizin-4-yl)benzamidine |
| Synonyms |
C23H24FN4O2
({4-[(3aS,4R,8aS,8bR)-2-[(4-fluorophenyl)methyl]-1,3-dioxo-decahydropyrrolo[3,4-a]pyrrolizin-4-yl]phenyl}(amino)methylidene)azanium
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| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | (3asr,4rs,8asr,8brs)-4-(2-(4-fluorobenzyl)-1,3-dioxodeacahydropyrrolo[3,4-a] pyrrolizin-4-yl)benzamidine
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|---|---|
| label | (3asr,4rs,8asr,8brs)-4-(2-(4-fluorobenzyl)-1,3-dioxodeacahydropyrrolo[3,4-a] pyrrolizin-4-yl)benzamidine
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| type | |
| InChIKey | InChIKey=GJYCQHGTXMVIBG-MUGJNUQGSA-O
|
| Synonym | C23H24FN4O2
({4-[(3aS,4R,8aS,8bR)-2-[(4-fluorophenyl)methyl]-1,3-dioxo-decahydropyrrolo[3,4-a]pyrrolizin-4-yl]phenyl}(amino)methylidene)azanium
|
| xref |
PubChem Substance:99444267
PDB:FSN
PubChem Compound:5288257
ChemSpider:4450457
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| prefixIRI | obo2:dinto_DB07796
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| related with | |
| SMILES | [H][C@@]12CCC[N@@]1[C@@]([H])(C1=CC=C(C=C1)C(N)=[NH2+])[C@@]1([H])C(=O)N(CC3=CC=C(F)C=C3)C(=O)[C@@]21[H]
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| InChI | InChI=1S/C23H23FN4O2/c24-16-9-3-13(4-10-16)12-28-22(29)18-17-2-1-11-27(17)20(19(18)23(28)30)14-5-7-15(8-6-14)21(25)26/h3-10,17-20H,1-2,11-12H2,(H3,25,26)/p+1/t17-,18-,19-,20-/m0/s1
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| subClassOf |
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