General Information of the Compound
| Compound ID |
CP0224642
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| Compound Name |
[5-chloro-2-[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 |
C19H19BClF3N2O4
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| Molecular Weight |
442.63
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| Canonical SMILES |
OB(O)c1cc(Cl)ccc1CC(=O)N1CCC(CC1)Oc1ccc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C19H19BClF3N2O4/c21-14-3-1-12(16(10-14)20(28)29)9-18(27)26-7-5-15(6-8-26)30-17-4-2-13(11-25-17)19(22,23)24/h1-4,10-11,15,28-29H,5-9H2
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| InChIKey |
MBRGVCHMYNFPAV-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