General Information of the Compound
| Compound ID |
CP0376270
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| Compound Name |
4-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl]-1-(4-fluoro-phenyl)-butan-1-one; hydrochloride
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| Structure |
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| Formula |
C22H25FN2O3
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| Molecular Weight |
384.451
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1cccc2OCCOc12
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| InChI |
InChI=1S/C22H25FN2O3/c23-18-8-6-17(7-9-18)20(26)4-2-10-24-11-13-25(14-12-24)19-3-1-5-21-22(19)28-16-15-27-21/h1,3,5-9H,2,4,10-16H2
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| InChIKey |
QHORYEWITOZOQE-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