General Information of the Compound
| Compound ID |
CP0534729
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| Compound Name |
4-(dimethylamino)-N-[3-[5-[4-(3-hydroxypiperidine-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 |
C37H40N6O5
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| Molecular Weight |
648.764
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| Canonical SMILES |
CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCCC(O)C3)c(NC(=O)C=C)c2)c(=O)n(C)c1
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| InChI |
InChI=1S/C37H40N6O5/c1-6-34(45)39-32-20-26(14-17-30(32)36(47)43-18-8-9-28(44)22-43)38-33-19-25(21-42(5)37(33)48)29-10-7-11-31(23(29)2)40-35(46)24-12-15-27(16-13-24)41(3)4/h6-7,10-17,19-21,28,38,44H,1,8-9,18,22H2,2-5H3,(H,39,45)(H,40,46)
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| InChIKey |
JQGYFDZXRAXZTN-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