General Information of the Compound
| Compound ID |
CP0384159
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| Compound Name |
3-chloro-4-[(4R,5S)-5-(2-chloro-4-hydroxyphenyl)-1,3-diethyl-4,5-dihydroimidazol-1-ium-4-yl]phenol
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| Structure |
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| Formula |
C19H21Cl2N2O2+
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| Molecular Weight |
380.295
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| Canonical SMILES |
CCN1C=[N+](CC)[C@H]([C@H]1c1ccc(O)cc1Cl)c1ccc(O)cc1Cl
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| InChI |
InChI=1S/C19H20Cl2N2O2/c1-3-22-11-23(4-2)19(15-8-6-13(25)10-17(15)21)18(22)14-7-5-12(24)9-16(14)20/h5-11,18-19H,3-4H2,1-2H3,(H-,24,25)/p+1/t18-,19+
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| InChIKey |
FZBUSQBPUCOUKG-KDURUIRLSA-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