General Information of the Compound
| Compound ID |
CP0457780
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| Compound Name |
(1-benzylpiperidin-4-yl)methyl 6-methoxy-4-oxochromene-2-carboxylate
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| Structure |
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| Formula |
C24H25NO5
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| Molecular Weight |
407.466
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| Canonical SMILES |
COc1ccc2oc(cc(=O)c2c1)C(=O)OCC1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C24H25NO5/c1-28-19-7-8-22-20(13-19)21(26)14-23(30-22)24(27)29-16-18-9-11-25(12-10-18)15-17-5-3-2-4-6-17/h2-8,13-14,18H,9-12,15-16H2,1H3
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| InChIKey |
RRMUDFYHNZUTFN-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