Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L40EDC
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| Ligand Name |
2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid
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| Synonyms |
2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid; 9R3
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| Structure |
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Download2D MOL |
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| Formula |
C29H27Cl2N3O4S
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| Canonical SMILES |
C1CC2CN(CC(C1)C2OCC3=C(ON=C3C4=C(C=CC=C4Cl)Cl)C5CC5)C6=NC7=C(S6)C=C(C=C7)C(=O)O
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| InChI |
1S/C29H27Cl2N3O4S/c30-20-5-2-6-21(31)24(20)25-19(27(38-33-25)15-7-8-15)14-37-26-17-3-1-4-18(26)13-34(12-17)29-32-22-10-9-16(28(35)36)11-23(22)39-29/h2,5-6,9-11,15,17-18,26H,1,3-4,7-8,12-14H2,(H,35,36)/t17-,18+,26?
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| InChIKey |
LRGRHLPTAIKGDV-PQJFKPCWSA-N
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| PubChem Compound ID | ||||
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