General Information of the Compound
| Compound ID |
CP0459930
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| Compound Name |
1-(2,4-dichlorophenyl)-3-[3-fluoro-4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea
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| Structure |
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| Formula |
C18H14Cl2FN5O2
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| Molecular Weight |
422.247
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| Canonical SMILES |
CNc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2F)ncn1
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| InChI |
InChI=1S/C18H14Cl2FN5O2/c1-22-16-8-17(24-9-23-16)28-15-5-3-11(7-13(15)21)25-18(27)26-14-4-2-10(19)6-12(14)20/h2-9H,1H3,(H,22,23,24)(H2,25,26,27)
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| InChIKey |
RHFJSQKINYLHQG-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