General Information of the Compound
| Compound ID |
CP0020487
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| Compound Name |
N-[3-methyl-4-[3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl]oxyphenyl]-3-phenoxybenzamide
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| Structure |
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| Formula |
C30H25N5O3
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| Molecular Weight |
503.562
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| Canonical SMILES |
CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1C
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| InChI |
InChI=1S/C30H25N5O3/c1-20-18-22(34-28(36)21-8-6-11-24(19-21)37-23-9-4-3-5-10-23)13-14-27(20)38-29-25(12-7-16-32-29)26-15-17-33-30(31-2)35-26/h3-19H,1-2H3,(H,34,36)(H,31,33,35)
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| InChIKey |
GASPHORHXIOCBB-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