General Information of the Compound
| Compound ID |
CP0153875
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C23H22N2O5
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| Molecular Weight |
406.438
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| Canonical SMILES |
O=C(NC1CCN(Cc2ccc3OCOc3c2)CC1)c1cc(=O)c2ccccc2o1
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| InChI |
InChI=1S/C23H22N2O5/c26-18-12-22(30-19-4-2-1-3-17(18)19)23(27)24-16-7-9-25(10-8-16)13-15-5-6-20-21(11-15)29-14-28-20/h1-6,11-12,16H,7-10,13-14H2,(H,24,27)
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| InChIKey |
IZLJKNPYMLZCPG-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