General Information of the Compound
| Compound ID |
CP0099287
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| Compound Name |
[2-[2-oxo-2-[4-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]piperidin-1-yl]ethyl]phenyl]boronic acid
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| Structure |
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| Formula |
C20H22BF3N2O4
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| Molecular Weight |
422.212
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| Canonical SMILES |
OB(O)c1ccccc1CC(=O)N1CCC(COc2ccc(cn2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C20H22BF3N2O4/c22-20(23,24)16-5-6-18(25-12-16)30-13-14-7-9-26(10-8-14)19(27)11-15-3-1-2-4-17(15)21(28)29/h1-6,12,14,28-29H,7-11,13H2
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| InChIKey |
IUWWHRXHZLAQCG-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