General Information of the Compound
| Compound ID |
CP0469889
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| Compound Name |
1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea
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| Structure |
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| Formula |
C22H24F3N5O3
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| Molecular Weight |
463.46
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| Canonical SMILES |
CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1cccc2NC(=O)COc12)C(F)(F)F
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| InChI |
InChI=1S/C22H24F3N5O3/c1-13-7-9-30(10-8-13)20-14(5-6-17(29-20)22(23,24)25)11-26-21(32)28-16-4-2-3-15-19(16)33-12-18(31)27-15/h2-6,13H,7-12H2,1H3,(H,27,31)(H2,26,28,32)
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| InChIKey |
RTNGFMPUJGMFIJ-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