General Information of the Compound
| Compound ID |
CP0125848
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| Compound Name |
(1-benzylpiperidin-4-yl)methyl 6,7-dimethoxy-4-oxochromene-2-carboxylate
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| Structure |
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| Formula |
C25H27NO6
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| Molecular Weight |
437.492
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| Canonical SMILES |
COc1cc2oc(cc(=O)c2cc1OC)C(=O)OCC1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C25H27NO6/c1-29-22-12-19-20(27)13-24(32-21(19)14-23(22)30-2)25(28)31-16-18-8-10-26(11-9-18)15-17-6-4-3-5-7-17/h3-7,12-14,18H,8-11,15-16H2,1-2H3
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| InChIKey |
TVAFVIMAUJSJNE-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