General Information of the Compound
| Compound ID |
CP0085437
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| Compound Name |
(3-benzyl-3-methyl-2,3-dihydrobenzofuran-6-yl)(piperidin-1-yl)methanone
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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 |
CC1(Cc2ccccc2)COc2cc(ccc12)C(=O)N1CCCCC1
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| InChI |
InChI=1S/C22H25NO2/c1-22(15-17-8-4-2-5-9-17)16-25-20-14-18(10-11-19(20)22)21(24)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3
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| InChIKey |
ZEMCXAZYSOBAGF-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