Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LDX28Q
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| Ligand Name |
4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-Benzodioxol-5-ylmethyl)-7-hydroxy-1,3-dioxodecahydropyrrolo[3,4-A]pyrrolizin-4-YL]benzenecarboximidamide
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| Synonyms |
4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE; 1vzq; SHY; SCHEMBL23752418; DB08546; Q27097746; (3aalpha,3bbeta,7aalpha)-5beta-Hydroxy-2-piperonyl-7beta-(4-amidinophenyl)octahydro-2H-2,6a-diaza-1H-cyclopenta[a]pentalene-1,3-dione
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| Structure |
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Download2D MOL |
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| Formula |
C24H24N4O5
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| Canonical SMILES |
C1C(CN2C1C3C(C2C4=CC=C(C=C4)C(=N)N)C(=O)N(C3=O)CC5=CC6=C(C=C5)OCO6)O
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| InChI |
1S/C24H24N4O5/c25-22(26)14-4-2-13(3-5-14)21-20-19(16-8-15(29)10-27(16)21)23(30)28(24(20)31)9-12-1-6-17-18(7-12)33-11-32-17/h1-7,15-16,19-21,29H,8-11H2,(H3,25,26)/t15-,16+,19+,20+,21+/m1/s1
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| InChIKey |
CETLUACQMGBMFH-ZALSBGIRSA-N
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| PubChem Compound ID | ||||
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