General Information of the Compound
| Compound ID |
CP0725021
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| Compound Name |
4-fluoro-N-methyl-2-(2-(tetrahydro-2H-pyran-4-ylamino)-5-(trifluoromethyl)pyridin-4-ylamino)benzamide
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| Structure |
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| Formula |
C19H20F4N4O2
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| Molecular Weight |
412.387
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| Canonical SMILES |
CNC(=O)c1ccc(F)cc1Nc1cc(NC2CCOCC2)ncc1C(F)(F)F
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| InChI |
InChI=1S/C19H20F4N4O2/c1-24-18(28)13-3-2-11(20)8-15(13)27-16-9-17(25-10-14(16)19(21,22)23)26-12-4-6-29-7-5-12/h2-3,8-10,12H,4-7H2,1H3,(H,24,28)(H2,25,26,27)
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| InChIKey |
ZPZUBNVYVTYUSH-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
Protein ID: PT00850, Mitogen-activated protein kinase 1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000045 | A-375 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 3400 nM
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