General Information of the Compound
| Compound ID |
CP0383318
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| Compound Name |
thiophen-2-yl-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C16H15F3N2O2S
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| Molecular Weight |
356.369
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| Canonical SMILES |
FC(F)(F)Oc1ccc(cc1)N1CCN(CC1)C(=O)c1cccs1
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| InChI |
InChI=1S/C16H15F3N2O2S/c17-16(18,19)23-13-5-3-12(4-6-13)20-7-9-21(10-8-20)15(22)14-2-1-11-24-14/h1-6,11H,7-10H2
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| InChIKey |
QSKAEENPKXCRFB-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