General Information of the Compound
| Compound ID |
CP0561268
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| Compound Name |
3-[4-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperazin-1-yl]benzoic acid
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| Structure |
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| Formula |
C20H19F3N2O4
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| Molecular Weight |
408.376
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| Canonical SMILES |
OC(=O)c1cccc(c1)N1CCN(CC1)C(=O)COc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H19F3N2O4/c21-20(22,23)15-4-6-17(7-5-15)29-13-18(26)25-10-8-24(9-11-25)16-3-1-2-14(12-16)19(27)28/h1-7,12H,8-11,13H2,(H,27,28)
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| InChIKey |
VQHOEAYJWXAHRB-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