General Information of the Compound
| Compound ID |
CP0449084
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-[4-(4-methoxyphenyl)phenyl]acetamide
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| Structure |
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| Formula |
C28H30N2O4
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| Molecular Weight |
458.558
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(CC(=O)NC2CCN(Cc3ccc4OCOc4c3)CC2)cc1
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| InChI |
InChI=1S/C28H30N2O4/c1-32-25-9-7-23(8-10-25)22-5-2-20(3-6-22)17-28(31)29-24-12-14-30(15-13-24)18-21-4-11-26-27(16-21)34-19-33-26/h2-11,16,24H,12-15,17-19H2,1H3,(H,29,31)
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| InChIKey |
PPUDNFXJSZDKQT-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