General Information of the Compound
| Compound ID |
CP0507089
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| Compound Name |
N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)anilino]-6-oxopyridin-3-yl]phenyl]-4-morpholin-4-ylbenzamide
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| Structure |
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| Formula |
C38H40N6O6
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| Molecular Weight |
676.774
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| Canonical SMILES |
Cc1c(NC(=O)c2ccc(cc2)N2CCOCC2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
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| InChI |
InChI=1S/C38H40N6O6/c1-4-35(45)40-33-23-28(10-13-31(33)37(47)44-16-20-50-21-17-44)39-34-22-27(24-42(3)38(34)48)30-6-5-7-32(25(30)2)41-36(46)26-8-11-29(12-9-26)43-14-18-49-19-15-43/h4-13,22-24,39H,1,14-21H2,2-3H3,(H,40,45)(H,41,46)
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| InChIKey |
IUTJPXFPIBWOKW-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