General Information of the Compound
| Compound ID |
CP0229190
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| Compound Name |
1-[3,5-dimethyl-4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C21H20F3N5O2
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| Molecular Weight |
431.418
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| Canonical SMILES |
CNc1cc(Oc2c(C)cc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2C)ncn1
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| InChI |
InChI=1S/C21H20F3N5O2/c1-12-7-16(8-13(2)19(12)31-18-10-17(25-3)26-11-27-18)29-20(30)28-15-6-4-5-14(9-15)21(22,23)24/h4-11H,1-3H3,(H,25,26,27)(H2,28,29,30)
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| InChIKey |
FECAKHQZOGVGGX-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