General Information of the Compound
| Compound ID |
CP0431637
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| Compound Name |
[2-[[4-[5-(trifluoromethyl)pyridin-2-yl]oxypiperidin-1-yl]methyl]phenyl]boronic acid
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| Structure |
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| Formula |
C18H20BF3N2O3
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| Molecular Weight |
380.175
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| Canonical SMILES |
OB(O)c1ccccc1CN1CCC(CC1)Oc1ccc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C18H20BF3N2O3/c20-18(21,22)14-5-6-17(23-11-14)27-15-7-9-24(10-8-15)12-13-3-1-2-4-16(13)19(25)26/h1-6,11,15,25-26H,7-10,12H2
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| InChIKey |
LMBLXMWDAGCPAY-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