General Information of the Compound
| Compound ID |
CP0433933
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| Compound Name |
2-[4-(1-adamantyl)phenoxy]-N-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]acetamide
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| Structure |
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| Formula |
C26H33N3O3
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| Molecular Weight |
435.568
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| Canonical SMILES |
CN(CCO)c1ccc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)cn1
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| InChI |
InChI=1S/C26H33N3O3/c1-29(8-9-30)24-7-4-22(16-27-24)28-25(31)17-32-23-5-2-21(3-6-23)26-13-18-10-19(14-26)12-20(11-18)15-26/h2-7,16,18-20,30H,8-15,17H2,1H3,(H,28,31)
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| InChIKey |
ZOEQWZRZNAWMFB-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