General Information of the Compound
| Compound ID |
CP0524970
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| Compound Name |
N-(2,6-dimethylphenyl)-4-[[4-[4-(trifluoromethoxy)phenyl]pyridin-2-yl]amino]benzamide
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| Structure |
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| Formula |
C27H22F3N3O2
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| Molecular Weight |
477.486
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| Canonical SMILES |
Cc1cccc(C)c1NC(=O)c1ccc(Nc2cc(ccn2)-c2ccc(OC(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C27H22F3N3O2/c1-17-4-3-5-18(2)25(17)33-26(34)20-6-10-22(11-7-20)32-24-16-21(14-15-31-24)19-8-12-23(13-9-19)35-27(28,29)30/h3-16H,1-2H3,(H,31,32)(H,33,34)
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| InChIKey |
YCGZFWDBBDRLNZ-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