General Information of the Compound
| Compound ID |
CP0020460
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| Compound Name |
2-anilino-N-[2-methyl-4-[3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl]oxyphenyl]benzamide
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| Structure |
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| Formula |
C30H26N6O2
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| Molecular Weight |
502.578
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| Canonical SMILES |
CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)c(C)c1
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| InChI |
InChI=1S/C30H26N6O2/c1-20-19-22(38-29-24(12-8-17-32-29)27-16-18-33-30(31-2)36-27)14-15-25(20)35-28(37)23-11-6-7-13-26(23)34-21-9-4-3-5-10-21/h3-19,34H,1-2H3,(H,35,37)(H,31,33,36)
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| InChIKey |
VHJIZZORCPKCDP-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