General Information of the Compound
| Compound ID |
CP0103016
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| Compound Name |
2-[(1S)-5-{3-[4-(trifluoromethoxy)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C21H21F3O5
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| Molecular Weight |
410.388
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| Canonical SMILES |
OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(OC(F)(F)F)cc3)ccc12
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| InChI |
InChI=1S/C21H21F3O5/c22-21(23,24)29-17-6-4-16(5-7-17)27-10-1-11-28-18-8-9-19-14(12-18)2-3-15(19)13-20(25)26/h4-9,12,15H,1-3,10-11,13H2,(H,25,26)/t15-/m0/s1
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| InChIKey |
CNPISPPVRJLPAM-HNNXBMFYSA-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