General Information of the Compound
| Compound ID |
CP0491572
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| Compound Name |
2-(4-tert-butylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-5-methylpyridin-3-yl]acetamide
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| Structure |
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| Formula |
C21H29N3O3
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| Molecular Weight |
371.481
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| Canonical SMILES |
CN(CCO)c1ncc(NC(=O)COc2ccc(cc2)C(C)(C)C)cc1C
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| InChI |
InChI=1S/C21H29N3O3/c1-15-12-17(13-22-20(15)24(5)10-11-25)23-19(26)14-27-18-8-6-16(7-9-18)21(2,3)4/h6-9,12-13,25H,10-11,14H2,1-5H3,(H,23,26)
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| InChIKey |
LOVJGXUULPFMFC-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