General Information of the Compound
| Compound ID |
CP0034731
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| Compound Name |
(S)-2-(4-(3-(2-chloro-4-(2,2,2-trifluoroethyl)phenoxy)propoxy)benzyl)-2-methylbutanoic acid
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| Structure |
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| Formula |
C23H26ClF3O4
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| Molecular Weight |
458.904
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| Canonical SMILES |
CC[C@@](C)(Cc1ccc(OCCCOc2ccc(CC(F)(F)F)cc2Cl)cc1)C(O)=O
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| InChI |
InChI=1S/C23H26ClF3O4/c1-3-22(2,21(28)29)14-16-5-8-18(9-6-16)30-11-4-12-31-20-10-7-17(13-19(20)24)15-23(25,26)27/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,28,29)/t22-/m0/s1
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| InChIKey |
ACTSIVLHZCAAMO-QFIPXVFZSA-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