General Information of the Compound
| Compound ID |
CP0514247
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| Compound Name |
1-{4-[(2-amino-1H-1,3-benzodiazol-6-yl)oxy]phenyl}-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C21H15F4N5O2
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| Molecular Weight |
445.376
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| Canonical SMILES |
Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
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| InChI |
InChI=1S/C21H15F4N5O2/c22-15-7-1-11(21(23,24)25)9-17(15)30-20(31)27-12-2-4-13(5-3-12)32-14-6-8-16-18(10-14)29-19(26)28-16/h1-10H,(H3,26,28,29)(H2,27,30,31)
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| InChIKey |
GKOMRRDSXJXWIK-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