General Information of the Compound
| Compound ID |
CP0478886
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| Compound Name |
4-[4-(3-methoxypyridin-2-yl)piperidin-1-yl]-1-(3-methylpyrazin-2-yl)azepane
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| Structure |
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| Formula |
C22H31N5O
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| Molecular Weight |
381.524
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| Canonical SMILES |
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1nccnc1C
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| InChI |
InChI=1S/C22H31N5O/c1-17-22(25-12-11-23-17)27-13-4-5-19(9-16-27)26-14-7-18(8-15-26)21-20(28-2)6-3-10-24-21/h3,6,10-12,18-19H,4-5,7-9,13-16H2,1-2H3
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| InChIKey |
APRFZDOURHFBPX-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