General Information of the Compound
| Compound ID |
CP0229319
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| Compound Name |
1-[4-[6-(2-hydroxyethylamino)pyrimidin-4-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C20H18F3N5O3
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| Molecular Weight |
433.39
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| Canonical SMILES |
OCCNc1cc(Oc2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)ncn1
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| InChI |
InChI=1S/C20H18F3N5O3/c21-20(22,23)13-2-1-3-15(10-13)28-19(30)27-14-4-6-16(7-5-14)31-18-11-17(24-8-9-29)25-12-26-18/h1-7,10-12,29H,8-9H2,(H,24,25,26)(H2,27,28,30)
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| InChIKey |
OFILTDUVSIVKNP-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