General Information of the Compound
| Compound ID |
CP0416208
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| Compound Name |
1-[4-[4-(3-methoxypyridin-2-yl)piperidin-1-yl]azepan-1-yl]butan-1-one
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| Structure |
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| Formula |
C21H33N3O2
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| Molecular Weight |
359.514
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| Canonical SMILES |
CCCC(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccc1OC
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| InChI |
InChI=1S/C21H33N3O2/c1-3-6-20(25)24-13-5-7-18(11-16-24)23-14-9-17(10-15-23)21-19(26-2)8-4-12-22-21/h4,8,12,17-18H,3,5-7,9-11,13-16H2,1-2H3
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| InChIKey |
ABPDXVBJHAUXMG-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