General Information of the Compound
| Compound ID |
CP0478976
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| Compound Name |
6-[N-methyl-4-(trifluoromethoxy)anilino]-N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C26H27BF3N3O4
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| Molecular Weight |
513.325
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| Canonical SMILES |
CN(c1ccc(OC(F)(F)F)cc1)c1ccc(cn1)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1
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| InChI |
InChI=1S/C26H27BF3N3O4/c1-24(2)25(3,4)37-27(36-24)20-8-6-7-9-21(20)32-23(34)17-10-15-22(31-16-17)33(5)18-11-13-19(14-12-18)35-26(28,29)30/h6-16H,1-5H3,(H,32,34)
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| InChIKey |
WEOPPTJDPGFTCA-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