General Information of the Compound
| Compound ID |
CP0026409
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| Compound Name |
2-anilino-N-[4-[3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl]oxyphenyl]benzamide
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| Structure |
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| Formula |
C29H24N6O2
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| Molecular Weight |
488.551
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| Canonical SMILES |
CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
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| InChI |
InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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| InChIKey |
YRIZEPGWRQGUBO-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