General Information of the Compound
| Compound ID |
CP0552411
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| Compound Name |
[4-[[2-(3-chlorophenoxy)ethylamino]methyl]-4-fluoropiperidin-1-yl]-(3,4-dichlorophenyl)methanone
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| Structure |
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| Formula |
C21H22Cl3FN2O2
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| Molecular Weight |
459.776
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| Canonical SMILES |
FC1(CNCCOc2cccc(Cl)c2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C21H22Cl3FN2O2/c22-16-2-1-3-17(13-16)29-11-8-26-14-21(25)6-9-27(10-7-21)20(28)15-4-5-18(23)19(24)12-15/h1-5,12-13,26H,6-11,14H2
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| InChIKey |
IMXPYWSQVDUSBX-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01005, D(2) dopamine receptor