General Information of the Compound
| Compound ID |
CP0447327
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| Compound Name |
3,4-dimethoxy-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)anilino]-6-oxopyridin-3-yl]phenyl]benzamide
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| Structure |
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| Formula |
C36H37N5O7
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| Molecular Weight |
651.72
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| Canonical SMILES |
COc1ccc(cc1OC)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
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| InChI |
InChI=1S/C36H37N5O7/c1-6-33(42)38-29-20-25(11-12-27(29)35(44)41-14-16-48-17-15-41)37-30-18-24(21-40(3)36(30)45)26-8-7-9-28(22(26)2)39-34(43)23-10-13-31(46-4)32(19-23)47-5/h6-13,18-21,37H,1,14-17H2,2-5H3,(H,38,42)(H,39,43)
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| InChIKey |
WUEQBCDQDMDTOS-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