General Information of the Compound
| Compound ID |
CP0944417
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| Compound Name |
1-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-N,N-dimethyl-N-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)methanaminium iodide
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| Structure |
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| Formula |
C26H31F3IN
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| Molecular Weight |
541.439
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| Canonical SMILES |
CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)[C@@H]1C2.[I-]
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| InChI |
InChI=1S/C26H31F3N.HI/c1-25(2)23-14-11-21(24(25)15-23)17-30(3,4)16-18-5-7-19(8-6-18)20-9-12-22(13-10-20)26(27,28)29;/h5-13,23-24H,14-17H2,1-4H3;1H/q+1;/p-1/t23-,24-;/m0./s1
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| InChIKey |
GMMRHYCJNNATMS-UKOKCHKQSA-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