General Information of the Compound
| Compound ID |
CP0219107
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| Compound Name |
N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
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| Structure |
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| Formula |
C26H29N3O4
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| Molecular Weight |
447.535
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| Canonical SMILES |
COc1ccc(cc1)C(N(C)C(=O)c1ccc(=O)[nH]c1)C(=O)Nc1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C26H29N3O4/c1-26(2,3)19-9-11-20(12-10-19)28-24(31)23(17-6-13-21(33-5)14-7-17)29(4)25(32)18-8-15-22(30)27-16-18/h6-16,23H,1-5H3,(H,27,30)(H,28,31)
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| InChIKey |
PIBUURJIMMZKSJ-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