General Information of the Compound
| Compound ID |
CP0422869
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| Compound Name |
4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiophen-3-yl)-7-(4-(trifluoromethoxy)phenyl)-2-naphthoic acid
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| Structure |
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| Formula |
C25H13F9O4S
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| Molecular Weight |
580.424
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| Canonical SMILES |
OC(=O)c1cc(-c2cscc2C(O)(C(F)(F)F)C(F)(F)F)c2ccc(cc2c1)-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C25H13F9O4S/c26-23(27,28)22(37,24(29,30)31)20-11-39-10-19(20)18-9-15(21(35)36)8-14-7-13(3-6-17(14)18)12-1-4-16(5-2-12)38-25(32,33)34/h1-11,37H,(H,35,36)
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| InChIKey |
QFWPUZBCALDZQR-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