Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L4M7GH
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| Ligand Name |
1-[3,3-Dimethyl-6-(Phenylmethyl)-2~{h}-Pyrrolo[3,2-B]pyridin-1-Yl]-2-[(2~{r},5~{r})-5-Methyl-2-Morpholin-4-Ylcarbonyl-Piperazin-4-Ium-1-Yl]ethanone
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| Synonyms |
1-[3,3-Dimethyl-6-(Phenylmethyl)-2~{h}-Pyrrolo[3,2-B]pyridin-1-Yl]-2-[(2~{r},5~{r})-5-Methyl-2-Morpholin-4-Ylcarbonyl-Piperazin-4-Ium-1-Yl]ethanone; 7J6
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| Structure |
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Download2D MOL |
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| Formula |
C28H38N5O3+
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| Canonical SMILES |
CC1CN(C(C[NH2+]1)C(=O)N2CCOCC2)CC(=O)N3CC(C4=C3C=C(C=N4)CC5=CC=CC=C5)(C)C
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| InChI |
1S/C28H37N5O3/c1-20-17-32(24(16-29-20)27(35)31-9-11-36-12-10-31)18-25(34)33-19-28(2,3)26-23(33)14-22(15-30-26)13-21-7-5-4-6-8-21/h4-8,14-15,20,24,29H,9-13,16-19H2,1-3H3/p+1/t20-,24-/m1/s1
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| InChIKey |
OVTBGVLYQSDVGG-HYBUGGRVSA-O
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| PubChem Compound ID | ||||
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