Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L3VO5D
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| Ligand Name |
1-[6-[(4-Fluorophenyl)methyl]-3,3-Dimethyl-2~{h}-Pyrrolo[3,2-B]pyridin-1-Yl]-2-[(2~{r},5~{r})-5-Methyl-2-[[(3~{r})-3-Methylmorpholin-4-Yl]methyl]piperazin-4-Ium-1-Yl]ethanone
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| Synonyms |
1-[6-[(4-Fluorophenyl)methyl]-3,3-Dimethyl-2~{h}-Pyrrolo[3,2-B]pyridin-1-Yl]-2-[(2~{r},5~{r})-5-Methyl-2-[[(3~{r})-3-Methylmorpholin-4-Yl]methyl]piperazin-4-Ium-1-Yl]ethanone; 7H9
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| Structure |
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Download2D MOL |
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| Formula |
C29H41FN5O2+
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| Canonical SMILES |
CC1CN(C(C[NH2+]1)CN2CCOCC2C)CC(=O)N3CC(C4=C3C=C(C=N4)CC5=CC=C(C=C5)F)(C)C
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| InChI |
1S/C29H40FN5O2/c1-20-15-34(25(14-31-20)16-33-9-10-37-18-21(33)2)17-27(36)35-19-29(3,4)28-26(35)12-23(13-32-28)11-22-5-7-24(30)8-6-22/h5-8,12-13,20-21,25,31H,9-11,14-19H2,1-4H3/p+1/t20-,21-,25-/m1/s1
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| InChIKey |
XIQKDUKFFKQZAO-DNRQZRRGSA-O
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| PubChem Compound ID | ||||
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