General Information of the Compound
| Compound ID |
CP0266071
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| Compound Name |
1-[3-chloro-5-ethyl-4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C21H19ClF3N5O2
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| Molecular Weight |
465.863
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| Canonical SMILES |
CCc1cc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc(Cl)c1Oc1cc(NC)ncn1
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| InChI |
InChI=1S/C21H19ClF3N5O2/c1-3-12-7-15(9-16(22)19(12)32-18-10-17(26-2)27-11-28-18)30-20(31)29-14-6-4-5-13(8-14)21(23,24)25/h4-11H,3H2,1-2H3,(H,26,27,28)(H2,29,30,31)
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| InChIKey |
HIDNWDLAKWPSAY-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