General Information of the Compound
| Compound ID |
CP0383954
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| Compound Name |
3-chloro-4-[(4R,5S)-5-(2-chloro-4-hydroxyphenyl)-1,3-dimethyl-4,5-dihydroimidazol-1-ium-4-yl]phenol
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| Structure |
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| Formula |
C17H17Cl2N2O2+
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| Molecular Weight |
352.241
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| Canonical SMILES |
CN1C=[N+](C)[C@H]([C@H]1c1ccc(O)cc1Cl)c1ccc(O)cc1Cl
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| InChI |
InChI=1S/C17H16Cl2N2O2/c1-20-9-21(2)17(13-6-4-11(23)8-15(13)19)16(20)12-5-3-10(22)7-14(12)18/h3-9,16-17H,1-2H3,(H-,22,23)/p+1/t16-,17+
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| InChIKey |
MPPLLILSYBKFOY-CALCHBBNSA-O
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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