General Information of the Compound
| Compound ID |
CP0526560
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| Compound Name |
1-[2-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C24H22F3N3O3
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| Molecular Weight |
457.452
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| Canonical SMILES |
CC1(C)CN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2O1
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| InChI |
InChI=1S/C24H22F3N3O3/c1-23(2)15-30(20-9-5-6-10-21(20)33-23)19-8-4-3-7-18(19)29-22(31)28-16-11-13-17(14-12-16)32-24(25,26)27/h3-14H,15H2,1-2H3,(H2,28,29,31)
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| InChIKey |
XFIAOQQYXCGDIW-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