General Information of the Compound
Compound ID |
CP0881021
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Compound Name |
1-((1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)-N-((2'-methoxybiphenyl-4-yl)methyl)-N,N-dimethylmethanaminium iodide
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Structure |
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Formula |
C26H34INO
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Molecular Weight |
503.468
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Canonical SMILES |
COc1ccccc1-c1ccc(C[N+](C)(C)CC2=CC[C@H]3C[C@@H]2C3(C)C)cc1.[I-]
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InChI |
InChI=1S/C26H34NO.HI/c1-26(2)22-15-14-21(24(26)16-22)18-27(3,4)17-19-10-12-20(13-11-19)23-8-6-7-9-25(23)28-5;/h6-14,22,24H,15-18H2,1-5H3;1H/q+1;/p-1/t22-,24-;/m0./s1
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InChIKey |
MSBJVIBAZGDWFI-XYOGLKKJSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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