General Information of the Compound
| Compound ID |
CP0148538
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| Compound Name |
[2-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]phenyl]boronic acid
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| Structure |
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| Formula |
C20H21BF3NO4
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| Molecular Weight |
407.197
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| Canonical SMILES |
OB(O)c1ccccc1CC(=O)N1CCC(CC1)Oc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H21BF3NO4/c22-20(23,24)15-5-7-16(8-6-15)29-17-9-11-25(12-10-17)19(26)13-14-3-1-2-4-18(14)21(27)28/h1-8,17,27-28H,9-13H2
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| InChIKey |
ASHXJESGFZSMJQ-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