General Information of the Compound
| Compound ID |
CP0120906
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| Compound Name |
1-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-3-yl]methyl]piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C22H20N2O4S
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| Molecular Weight |
408.479
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| Canonical SMILES |
OC(=O)C1CCN(Cc2coc3cc(Oc4nc5ccccc5s4)ccc23)CC1
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| InChI |
InChI=1S/C22H20N2O4S/c25-21(26)14-7-9-24(10-8-14)12-15-13-27-19-11-16(5-6-17(15)19)28-22-23-18-3-1-2-4-20(18)29-22/h1-6,11,13-14H,7-10,12H2,(H,25,26)
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| InChIKey |
PBFXIFNZNWKWMV-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