General Information of the Compound
| Compound ID |
CP0498136
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| Compound Name |
2-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(3-ethyl-1-oxy-pyridin-4-yl)-ethyl]-phenyl}-1,1,1,3,3,3-hexafluoro-propan-2-ol
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| Structure |
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| Formula |
C26H21F10NO4
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| Molecular Weight |
601.437
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| Canonical SMILES |
CCc1c[n+]([O-])ccc1CC(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccc(OC(F)F)c(OC(F)F)c1
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| InChI |
InChI=1S/C26H21F10NO4/c1-2-14-13-37(39)10-9-16(14)11-19(17-5-8-20(40-22(27)28)21(12-17)41-23(29)30)15-3-6-18(7-4-15)24(38,25(31,32)33)26(34,35)36/h3-10,12-13,19,22-23,38H,2,11H2,1H3
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| InChIKey |
MPNBSKGQXGGEAA-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