General Information of the Compound
| Compound ID |
CP0491691
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| Compound Name |
2-(2,4-ditert-butylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]acetamide
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| Structure |
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| Formula |
C24H35N3O3
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| Molecular Weight |
413.562
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| Canonical SMILES |
CN(CCO)c1ccc(NC(=O)COc2ccc(cc2C(C)(C)C)C(C)(C)C)cn1
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| InChI |
InChI=1S/C24H35N3O3/c1-23(2,3)17-8-10-20(19(14-17)24(4,5)6)30-16-22(29)26-18-9-11-21(25-15-18)27(7)12-13-28/h8-11,14-15,28H,12-13,16H2,1-7H3,(H,26,29)
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| InChIKey |
SEKZYHGDPAVGFB-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