General Information of the Compound
| Compound ID |
CP0075564
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| Compound Name |
2-(4-(3-((2,4-bis(trifluoromethyl)benzamido)methyl)phenoxy)-2-methylphenoxy)-2-methylpropanoic acid
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| Structure |
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| Formula |
C27H23F6NO5
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| Molecular Weight |
555.471
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| Canonical SMILES |
Cc1cc(Oc2cccc(CNC(=O)c3ccc(cc3C(F)(F)F)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O
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| InChI |
InChI=1S/C27H23F6NO5/c1-15-11-19(8-10-22(15)39-25(2,3)24(36)37)38-18-6-4-5-16(12-18)14-34-23(35)20-9-7-17(26(28,29)30)13-21(20)27(31,32)33/h4-13H,14H2,1-3H3,(H,34,35)(H,36,37)
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| InChIKey |
SOKGUCREKPAHNX-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