Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L39CZB
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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})-2-(Methoxymethyl)-5-Methyl-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})-2-(Methoxymethyl)-5-Methyl-Piperazin-4-Ium-1-Yl]ethanone; 7HU
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| Structure |
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Download2D MOL |
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| Formula |
C25H35N4O2+
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| Canonical SMILES |
CC1CN(C(C[NH2+]1)COC)CC(=O)N2CC(C3=C2C=C(C=N3)CC4=CC=CC=C4)(C)C
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| InChI |
1S/C25H34N4O2/c1-18-14-28(21(13-26-18)16-31-4)15-23(30)29-17-25(2,3)24-22(29)11-20(12-27-24)10-19-8-6-5-7-9-19/h5-9,11-12,18,21,26H,10,13-17H2,1-4H3/p+1/t18-,21-/m1/s1
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| InChIKey |
HHAFFIKQZNSDIS-WIYYLYMNSA-O
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| PubChem Compound ID | ||||
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