General Information of the Compound
| Compound ID |
CP0865307
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| Compound Name |
2-(4-Chlorophenyl)-N-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)-N,N-dimethylethanaminium iodide
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| Structure |
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| Formula |
C20H29ClIN
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| Molecular Weight |
445.816
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| Canonical SMILES |
CC1(C)[C@H]2CC=C(C[N+](C)(C)CCc3ccc(Cl)cc3)[C@@H]1C2.[I-]
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| InChI |
InChI=1S/C20H29ClN.HI/c1-20(2)17-8-7-16(19(20)13-17)14-22(3,4)12-11-15-5-9-18(21)10-6-15;/h5-7,9-10,17,19H,8,11-14H2,1-4H3;1H/q+1;/p-1/t17-,19-;/m0./s1
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| InChIKey |
OQPMHLBMUHYMQS-QQTWVUFVSA-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