Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5XP2V
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| Ligand Name |
IWR-1-exo
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| Synonyms |
IWR-1-exo; 1127442-87-8; exo-IWR-1; exo-IWR 1; CHEBI:62883; 4-[(3aR,4R,7S,7aS-rel)-1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-N-8-quinolinylbenzamide; 4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-quinolin-8-ylbenzamide; 4-[(3aR,4R,7S,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide; rel-4-((3aR,4R,7S,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(quinolin-8-yl)benzamide; IWR 1-exo; SCHEMBL17369116; DTXSID50360787; ZINC915717; AKOS024457891; HY-108437; CS-0028662; F81704; J-002832; Q27132253
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| Structure |
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Download2D MOL |
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| Formula |
C25H19N3O3
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| Canonical SMILES |
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6
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| InChI |
1S/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,20-21H,13H2,(H,27,29)/t16-,17+,20+,21-
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| InChIKey |
ZGSXEXBYLJIOGF-BTYSMDAFSA-N
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| PubChem Compound ID | ||||
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