General Information of the Compound
| Compound ID |
CP0848617
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| Compound Name |
[(2R,3S)-3-(2-phenylethyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
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| Structure |
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| Formula |
C22H25NO2
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| Molecular Weight |
335.447
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| Canonical SMILES |
O=C([C@@H]1Oc2ccccc2[C@@H]1CCc1ccccc1)N1CCCCC1
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| InChI |
InChI=1S/C22H25NO2/c24-22(23-15-7-2-8-16-23)21-19(14-13-17-9-3-1-4-10-17)18-11-5-6-12-20(18)25-21/h1,3-6,9-12,19,21H,2,7-8,13-16H2/t19-,21+/m0/s1
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| InChIKey |
LHEBGDMFEHYIPS-PZJWPPBQSA-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