General Information of the Compound
| Compound ID |
CP0484349
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| Compound Name |
2-methylpropyl 4-[4-(3-methoxypyridin-2-yl)piperidin-1-yl]azepane-1-carboxylate
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| Structure |
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| Formula |
C22H35N3O3
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| Molecular Weight |
389.54
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| Canonical SMILES |
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)C(=O)OCC(C)C
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| InChI |
InChI=1S/C22H35N3O3/c1-17(2)16-28-22(26)25-12-5-6-19(10-15-25)24-13-8-18(9-14-24)21-20(27-3)7-4-11-23-21/h4,7,11,17-19H,5-6,8-10,12-16H2,1-3H3
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| InChIKey |
JVVTUQFZULQGRT-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