General Information of the Compound
| Compound ID |
CP0189182
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| Compound Name |
N-[1-(4-tert-butylanilino)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
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| Structure |
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| Formula |
C27H31N3O4
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| Molecular Weight |
461.562
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| Canonical SMILES |
COc1ccc(CC(N(C)C(=O)c2ccc(=O)[nH]c2)C(=O)Nc2ccc(cc2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C27H31N3O4/c1-27(2,3)20-9-11-21(12-10-20)29-25(32)23(16-18-6-13-22(34-5)14-7-18)30(4)26(33)19-8-15-24(31)28-17-19/h6-15,17,23H,16H2,1-5H3,(H,28,31)(H,29,32)
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| InChIKey |
XHTBRQAZFDVYQO-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