General Information of the Compound
| Compound ID |
CP0905721
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| Compound Name |
{4-[2-(4-Fluorophenyl)-2-(2-methoxyethylamino)ethyl]piperazin-1-yl}(tetrahydrofuran-2-yl)methanone
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| Structure |
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| Formula |
C20H30FN3O3
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| Molecular Weight |
379.476
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| Canonical SMILES |
COCCNC(CN1CCN(C(=O)C2CCCO2)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C20H30FN3O3/c1-26-14-8-22-18(16-4-6-17(21)7-5-16)15-23-9-11-24(12-10-23)20(25)19-3-2-13-27-19/h4-7,18-19,22H,2-3,8-15H2,1H3
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| InChIKey |
WCGDNSMIQRLAMZ-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