General Information of the Compound
| Compound ID |
CP0890389
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| Compound Name |
1-((2-(4-(methyl-[3H])piperidin-1-yl-4-[3H])-6-(trifluoromethyl)pyridin-3-yl)-methyl)-3-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)urea
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| Structure |
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| Formula |
C22H24F3N5O3
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| Molecular Weight |
467.4760986
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| Canonical SMILES |
[3H]CC1([3H])CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cccc3c2OCC(=O)N3)CC1
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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)/i1T,13T
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| InChIKey |
RTNGFMPUJGMFIJ-QWBWVJPSSA-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