General Information of the Compound
| Compound ID |
CP0410366
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| Compound Name |
N-[4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
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| Structure |
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| Formula |
C25H23BClF3N2O4
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| Molecular Weight |
518.728
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| Canonical SMILES |
CC1(C)OB(OC1(C)C)c1cc(Cl)ccc1NC(=O)c1ccc(Oc2ccc(cc2)C(F)(F)F)nc1
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| InChI |
InChI=1S/C25H23BClF3N2O4/c1-23(2)24(3,4)36-26(35-23)19-13-17(27)8-11-20(19)32-22(33)15-5-12-21(31-14-15)34-18-9-6-16(7-10-18)25(28,29)30/h5-14H,1-4H3,(H,32,33)
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| InChIKey |
XTPIQWRZZPANDD-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