General Information of the Compound
| Compound ID |
CP0422863
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| Compound Name |
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C21H20F3N3O3
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| Molecular Weight |
419.403
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)N1CCC(CC1)C(=O)Nc1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C21H20F3N3O3/c22-21(23,24)14-2-1-3-16(10-14)27-8-6-13(7-9-27)20(29)25-15-4-5-18-17(11-15)26-19(28)12-30-18/h1-5,10-11,13H,6-9,12H2,(H,25,29)(H,26,28)
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| InChIKey |
WHSFWOMCIZMCFS-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