General Information of the Compound
| Compound ID |
CP0006323
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| Compound Name |
2,5-dimethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-5-ium
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| Structure |
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| Formula |
C17H23N2+
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| Molecular Weight |
255.385
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| Canonical SMILES |
CC1CC[N+]2(C)CCc3c([nH]c4ccccc34)C2C1
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| InChI |
InChI=1S/C17H23N2/c1-12-7-9-19(2)10-8-14-13-5-3-4-6-15(13)18-17(14)16(19)11-12/h3-6,12,16,18H,7-11H2,1-2H3/q+1
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| InChIKey |
GNYLBMQRZQXDNA-UHFFFAOYSA-N
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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: PT03245, Acetylcholine-binding protein
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7