General Information of the Compound
| Compound ID |
CP0434786
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| Compound Name |
thiophen-2-yl-[4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C18H19F3N2O3S
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| Molecular Weight |
400.422
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| Canonical SMILES |
FC(F)(F)Oc1ccc(OCCN2CCN(CC2)C(=O)c2cccs2)cc1
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| InChI |
InChI=1S/C18H19F3N2O3S/c19-18(20,21)26-15-5-3-14(4-6-15)25-12-11-22-7-9-23(10-8-22)17(24)16-2-1-13-27-16/h1-6,13H,7-12H2
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| InChIKey |
MPLFNDBEFUEQPR-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