General Information of the Compound
| Compound ID |
CP0147349
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| Compound Name |
2-(4,6-Bis(4-(trifluoromethyl)phenethoxy)pyrimidin-2-ylthio)-hexanoic Acid
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| Structure |
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| Formula |
C28H28F6N2O4S
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| Molecular Weight |
602.597
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| Canonical SMILES |
CCCCC(Sc1nc(OCCc2ccc(cc2)C(F)(F)F)cc(OCCc2ccc(cc2)C(F)(F)F)n1)C(O)=O
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| InChI |
InChI=1S/C28H28F6N2O4S/c1-2-3-4-22(25(37)38)41-26-35-23(39-15-13-18-5-9-20(10-6-18)27(29,30)31)17-24(36-26)40-16-14-19-7-11-21(12-8-19)28(32,33)34/h5-12,17,22H,2-4,13-16H2,1H3,(H,37,38)
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| InChIKey |
KWJPWFIDIAXISF-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