General Information of the Compound
| Compound ID |
CP0471603
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| Compound Name |
2-(4-Fluorophenylamino)-N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)benzamide
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| Structure |
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| Formula |
C29H23FN6O2
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| Molecular Weight |
506.541
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| Canonical SMILES |
CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C29H23FN6O2/c1-31-29-33-18-16-26(36-29)24-6-4-17-32-28(24)38-22-14-12-21(13-15-22)35-27(37)23-5-2-3-7-25(23)34-20-10-8-19(30)9-11-20/h2-18,34H,1H3,(H,35,37)(H,31,33,36)
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| InChIKey |
IREKYVHDFKJOHP-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