General Information of the Compound
| Compound ID |
CP0414909
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| Compound Name |
1-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C22H18F3N3O3
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| Molecular Weight |
429.398
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| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)Nc2ccccc2N2CCOc3ccccc23)cc1
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| InChI |
InChI=1S/C22H18F3N3O3/c23-22(24,25)31-16-11-9-15(10-12-16)26-21(29)27-17-5-1-2-6-18(17)28-13-14-30-20-8-4-3-7-19(20)28/h1-12H,13-14H2,(H2,26,27,29)
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| InChIKey |
QZHSNXPJBHKISL-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