General Information of the Compound
| Compound ID |
CP0431660
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| Compound Name |
(4-Fluoro-phenyl)-{1-[2-(2-iodo-phenyl)-ethyl]-piperidin-4-yl}-methanone
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| Structure |
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| Formula |
C20H21FINO
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| Molecular Weight |
437.296
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)C1CCN(CCc2ccccc2I)CC1
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| InChI |
InChI=1S/C20H21FINO/c21-18-7-5-16(6-8-18)20(24)17-10-13-23(14-11-17)12-9-15-3-1-2-4-19(15)22/h1-8,17H,9-14H2
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| InChIKey |
JREBTSVEMYTHEU-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