General Information of the Compound
| Compound ID |
CP0479450
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| Compound Name |
1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C18H14F3N5O2
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| Molecular Weight |
389.337
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| Canonical SMILES |
Nc1cc(Oc2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)ncn1
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| InChI |
InChI=1S/C18H14F3N5O2/c19-18(20,21)11-2-1-3-13(8-11)26-17(27)25-12-4-6-14(7-5-12)28-16-9-15(22)23-10-24-16/h1-10H,(H2,22,23,24)(H2,25,26,27)
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| InChIKey |
AVKRLFMBOPHBOL-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