General Information of the Compound
| Compound ID |
CP0852405
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| Compound Name |
1-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-N-((3'-(methoxycarbonyl)biphenyl-4-yl)methyl)-N,N-dimethylmethanaminium iodide
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| Structure |
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| Formula |
C27H34INO2
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| Molecular Weight |
531.478
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| Canonical SMILES |
COC(=O)c1cccc(-c2ccc(C[N+](C)(C)CC3=CC[C@H]4C[C@@H]3C4(C)C)cc2)c1.[I-]
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| InChI |
InChI=1S/C27H34NO2.HI/c1-27(2)24-14-13-23(25(27)16-24)18-28(3,4)17-19-9-11-20(12-10-19)21-7-6-8-22(15-21)26(29)30-5;/h6-13,15,24-25H,14,16-18H2,1-5H3;1H/q+1;/p-1/t24-,25-;/m0./s1
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| InChIKey |
DJLYKKIXRUFSHJ-DKIIUIKKSA-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