General Information of the Compound
| Compound ID |
CP0548654
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| Compound Name |
3,4,5-trimethoxy-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 |
C37H39N5O8
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| Molecular Weight |
681.746
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)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/C37H39N5O8/c1-7-33(43)39-29-20-25(11-12-27(29)36(45)42-13-15-50-16-14-42)38-30-17-24(21-41(3)37(30)46)26-9-8-10-28(22(26)2)40-35(44)23-18-31(47-4)34(49-6)32(19-23)48-5/h7-12,17-21,38H,1,13-16H2,2-6H3,(H,39,43)(H,40,44)
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| InChIKey |
WPLVZYMARBKPMU-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