General Information of the Compound
| Compound ID |
CP0409792
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| Compound Name |
(3-Fluoro-phenyl)-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-methanone
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| Structure |
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| Formula |
C22H22FNO2
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| Molecular Weight |
351.421
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1cccc(F)c1
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| InChI |
InChI=1S/C22H22FNO2/c1-15-4-3-10-24(15)11-9-20-14-18-12-17(7-8-21(18)26-20)22(25)16-5-2-6-19(23)13-16/h2,5-8,12-15H,3-4,9-11H2,1H3/t15-/m1/s1
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| InChIKey |
OKOPCYYMBGBJLQ-OAHLLOKOSA-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