General Information of the Compound
| Compound ID |
CP0356750
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| Compound Name |
[2-[1-methoxy-2-oxo-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxypiperidin-1-yl]ethyl]phenyl]boronic acid
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| Structure |
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| Formula |
C20H22BF3N2O5
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| Molecular Weight |
438.211
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| Canonical SMILES |
COC(C(=O)N1CCC(CC1)Oc1ccc(cn1)C(F)(F)F)c1ccccc1B(O)O
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| InChI |
InChI=1S/C20H22BF3N2O5/c1-30-18(15-4-2-3-5-16(15)21(28)29)19(27)26-10-8-14(9-11-26)31-17-7-6-13(12-25-17)20(22,23)24/h2-7,12,14,18,28-29H,8-11H2,1H3
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| InChIKey |
SWRCLMATQLSEOY-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