General Information of the Compound
| Compound ID |
CP0417725
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| Compound Name |
4-(4-(2-aminopyridin-4-yloxy)-3-fluorophenylamino)-N-(2,4-difluorophenyl)-2-(methylthio)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C23H17F3N6O2S
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| Molecular Weight |
498.49
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| Canonical SMILES |
CSc1ncc(C(=O)Nc2ccc(F)cc2F)c(Nc2ccc(Oc3ccnc(N)c3)c(F)c2)n1
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| InChI |
InChI=1S/C23H17F3N6O2S/c1-35-23-29-11-15(22(33)31-18-4-2-12(24)8-16(18)25)21(32-23)30-13-3-5-19(17(26)9-13)34-14-6-7-28-20(27)10-14/h2-11H,1H3,(H2,27,28)(H,31,33)(H,29,30,32)
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| InChIKey |
YVLGPYOFSVFSHS-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