General Information of the Compound
| Compound ID |
CP0479895
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| Compound Name |
N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[5-(trifluoromethyl)pyridin-2-yl]oxypyridine-2-carboxamide
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| Structure |
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| Formula |
C24H23BF3N3O4
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| Molecular Weight |
485.271
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| Canonical SMILES |
CC1(C)OB(OC1(C)C)c1ccccc1NC(=O)c1ccc(Oc2ccc(cn2)C(F)(F)F)cn1
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| InChI |
InChI=1S/C24H23BF3N3O4/c1-22(2)23(3,4)35-25(34-22)17-7-5-6-8-18(17)31-21(32)19-11-10-16(14-29-19)33-20-12-9-15(13-30-20)24(26,27)28/h5-14H,1-4H3,(H,31,32)
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| InChIKey |
PIWYVCKYRCHAKN-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