General Information of the Compound
| Compound ID |
CP0944416
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| Compound Name |
1-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-N-(4-(furan-3-yl)benzyl)-N,N-dimethylmethanaminium iodide
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| Structure |
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| Formula |
C23H30INO
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| Molecular Weight |
463.403
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| Canonical SMILES |
CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(-c4ccoc4)cc3)[C@@H]1C2.[I-]
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| InChI |
InChI=1S/C23H30NO.HI/c1-23(2)21-10-9-19(22(23)13-21)15-24(3,4)14-17-5-7-18(8-6-17)20-11-12-25-16-20;/h5-9,11-12,16,21-22H,10,13-15H2,1-4H3;1H/q+1;/p-1/t21-,22-;/m0./s1
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| InChIKey |
HWEICWLCJGDWJG-VROPFNGYSA-M
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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