General Information of the Compound
| Compound ID |
CP0011881
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| Compound Name |
(-)-lobeline
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| Synonyms |
AC1LEL62
BRN 0091533
EINECS 202-012-3
Ethanone, 2-(6-(2-hydroxy-2-phenylethyl)-1-methyl-2-piperidinyl)-1-phenyl-, (2R-(2alpha,6alpha(S*)))-
Inflatine
LS-88107
Lobelin
Lobelina [INN-Spanish]
Lobeline
Lobeline [INN]
Lobelinum [INN-Latin]
ZINC56446
lobeline
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| Structure |
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| Formula |
C22H27NO2
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| Molecular Weight |
337.463
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| Canonical SMILES |
CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1
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| InChI |
InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1
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| InChIKey |
MXYUKLILVYORSK-HBMCJLEFSA-N
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| CAS |
90-69-7
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Protein ID: PT01929, Synaptic vesicular amine transporter
Clinical Information about the Compound