General Information of the Compound
| Compound ID |
CP0566808
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| Compound Name |
1-[3-(2-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-(1-methylpyrrolidin-1-ium-1-yl)ethanone
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| Structure |
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| Formula |
C18H26N3O2+
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| Molecular Weight |
316.425
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| Canonical SMILES |
COc1ccccc1C1CC(C)=NN1C(=O)C[N+]1(C)CCCC1
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| InChI |
InChI=1S/C18H26N3O2/c1-14-12-16(15-8-4-5-9-17(15)23-3)20(19-14)18(22)13-21(2)10-6-7-11-21/h4-5,8-9,16H,6-7,10-13H2,1-3H3/q+1
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| InChIKey |
DWFMZYRAXGJBHN-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