General Information of the Compound
| Compound ID |
CP0245147
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| Compound Name |
2-(7-(2-(4-(trifluoromethyl)benzyloxy)benzylthio)-2,3-dihydro-1H-inden-4-yloxy)acetic acid
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| Structure |
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| Formula |
C26H23F3O4S
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| Molecular Weight |
488.527
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| Canonical SMILES |
OC(=O)COc1ccc(SCc2ccccc2OCc2ccc(cc2)C(F)(F)F)c2CCCc12
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| InChI |
InChI=1S/C26H23F3O4S/c27-26(28,29)19-10-8-17(9-11-19)14-32-22-7-2-1-4-18(22)16-34-24-13-12-23(33-15-25(30)31)20-5-3-6-21(20)24/h1-2,4,7-13H,3,5-6,14-16H2,(H,30,31)
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| InChIKey |
UQDCLZWSSZJCMF-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