General Information of the Compound
| Compound ID |
CP0397797
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| Compound Name |
4-[2-(3,4-Bis-difluoromethoxy-phenyl)-2-(4-chloro-phenyl)-ethyl]-pyridine
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| Structure |
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| Formula |
C21H16ClF4NO2
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| Molecular Weight |
425.809
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| Canonical SMILES |
FC(F)Oc1ccc(cc1OC(F)F)C(Cc1ccncc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H16ClF4NO2/c22-16-4-1-14(2-5-16)17(11-13-7-9-27-10-8-13)15-3-6-18(28-20(23)24)19(12-15)29-21(25)26/h1-10,12,17,20-21H,11H2
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| InChIKey |
SXGLZTUYFZBGOK-UHFFFAOYSA-N
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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