General Information of the Compound
| Compound ID |
CP0331274
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| Compound Name |
N-[2-(4-tert-butylanilino)-1-(4-methoxy-2-methylphenyl)-2-oxoethyl]-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(C(N(C)C(=O)c2ccc(=O)[nH]c2)C(=O)Nc2ccc(cc2)C(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C27H31N3O4/c1-17-15-21(34-6)12-13-22(17)24(30(5)26(33)18-7-14-23(31)28-16-18)25(32)29-20-10-8-19(9-11-20)27(2,3)4/h7-16,24H,1-6H3,(H,28,31)(H,29,32)
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| InChIKey |
NYIQJIWVIYZQIC-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