General Information of the Compound
| Compound ID |
CP0550681
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| Compound Name |
4-[2-(1-benzylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]-1-propylsulfonyl-3,6-dihydro-2H-pyridine
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| Structure |
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| Formula |
C28H36N2O3S
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| Molecular Weight |
480.674
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| Canonical SMILES |
CCCS(=O)(=O)N1CCC(=CC1)c1ccc2OC(Cc2c1)C1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C28H36N2O3S/c1-2-18-34(31,32)30-16-12-23(13-17-30)25-8-9-27-26(19-25)20-28(33-27)24-10-14-29(15-11-24)21-22-6-4-3-5-7-22/h3-9,12,19,24,28H,2,10-11,13-18,20-21H2,1H3
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| InChIKey |
VYSGCRDWVFIYTA-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