General Information of the Compound
| Compound ID |
CP0494033
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| Compound Name |
[2-[[5-[5-(trifluoromethyl)pyridin-2-yl]oxypyridine-2-carbonyl]amino]phenyl]boronic acid
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| Structure |
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| Formula |
C18H13BF3N3O4
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| Molecular Weight |
403.125
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| Canonical SMILES |
OB(O)c1ccccc1NC(=O)c1ccc(Oc2ccc(cn2)C(F)(F)F)cn1
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| InChI |
InChI=1S/C18H13BF3N3O4/c20-18(21,22)11-5-8-16(24-9-11)29-12-6-7-15(23-10-12)17(26)25-14-4-2-1-3-13(14)19(27)28/h1-10,27-28H,(H,25,26)
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| InChIKey |
OCAHUHKGYSDXIS-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