General Information of the Compound
| Compound ID |
CP0395443
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| Compound Name |
1-(2-(3-(4-(4-fluorophenyl)piperazin-1-yl)-2-hydroxypropoxy)phenyl)ethanone
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| Structure |
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| Formula |
C21H25FN2O3
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| Molecular Weight |
372.44
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| Canonical SMILES |
CC(=O)c1ccccc1OCC(O)CN1CCN(CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H25FN2O3/c1-16(25)20-4-2-3-5-21(20)27-15-19(26)14-23-10-12-24(13-11-23)18-8-6-17(22)7-9-18/h2-9,19,26H,10-15H2,1H3
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| InChIKey |
DJQUTQXEFRSBMV-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