General Information of the Compound
| Compound ID |
CP0059136
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| Compound Name |
3-{4-[3-amino-7-(trifluoromethoxy)-1,2-benzoxazol-4-yl]phenyl}-1-(2-fluoro-5-methylphenyl)urea
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| Structure |
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| Formula |
C22H16F4N4O3
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| Molecular Weight |
460.387
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| Canonical SMILES |
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(OC(F)(F)F)c3onc(N)c23)c1
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| InChI |
InChI=1S/C22H16F4N4O3/c1-11-2-8-15(23)16(10-11)29-21(31)28-13-5-3-12(4-6-13)14-7-9-17(32-22(24,25)26)19-18(14)20(27)30-33-19/h2-10H,1H3,(H2,27,30)(H2,28,29,31)
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| InChIKey |
SKANDNUVNSHDDS-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