General Information of the Compound
| Compound ID |
CP0930933
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| Compound Name |
{4-[2-Amino-2-(4-fluorophenyl)ethyl]piperazin-1-yl}(tetrahydrofuran-2-yl)methanone
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| Structure |
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| Formula |
C17H24FN3O2
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| Molecular Weight |
321.396
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| Canonical SMILES |
NC(CN1CCN(C(=O)C2CCCO2)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C17H24FN3O2/c18-14-5-3-13(4-6-14)15(19)12-20-7-9-21(10-8-20)17(22)16-2-1-11-23-16/h3-6,15-16H,1-2,7-12,19H2
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| InChIKey |
RBEIIFQOKOPRHP-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