General Information of the Compound
| Compound ID |
CP0896623
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| Compound Name |
1-(3'-Chlorobiphenyl-4-yl)-N-(((1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)-N,N-dimethylmethanaminium iodide
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| Structure |
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| Formula |
C25H31ClIN
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| Molecular Weight |
507.887
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| Canonical SMILES |
CC1(C)[C@@H]2CC=C(C[N+](C)(C)Cc3ccc(-c4cccc(Cl)c4)cc3)[C@H]1C2.[I-]
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| InChI |
InChI=1S/C25H31ClN.HI/c1-25(2)22-13-12-21(24(25)15-22)17-27(3,4)16-18-8-10-19(11-9-18)20-6-5-7-23(26)14-20;/h5-12,14,22,24H,13,15-17H2,1-4H3;1H/q+1;/p-1/t22-,24-;/m1./s1
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| InChIKey |
ZSYUSEHSDXCBLV-NOURSWRJSA-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