General Information of the Compound
| Compound ID |
CP0492064
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| Compound Name |
4-(dimethylamino)-N-[3-[5-[4-(4-methoxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)anilino]-1-methyl-6-oxopyridin-3-yl]-2-methylphenyl]benzamide
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| Structure |
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| Formula |
C38H42N6O5
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| Molecular Weight |
662.791
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| Canonical SMILES |
COC1CCN(CC1)C(=O)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)N(C)C)c2C)cc1NC(=O)C=C
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| InChI |
InChI=1S/C38H42N6O5/c1-7-35(45)40-33-22-27(13-16-31(33)37(47)44-19-17-29(49-6)18-20-44)39-34-21-26(23-43(5)38(34)48)30-9-8-10-32(24(30)2)41-36(46)25-11-14-28(15-12-25)42(3)4/h7-16,21-23,29,39H,1,17-20H2,2-6H3,(H,40,45)(H,41,46)
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| InChIKey |
VVUQDNFCYWCWSV-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