General Information of the Compound
| Compound ID |
CP0034710
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| Compound Name |
(S)-2-(4-(3-(2-chloro-4-(trifluoromethyl)phenoxy)propoxy)benzyl)-2-methylbutanoic acid
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| Structure |
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| Formula |
C22H24ClF3O4
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| Molecular Weight |
444.877
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| Canonical SMILES |
CC[C@@](C)(Cc1ccc(OCCCOc2ccc(cc2Cl)C(F)(F)F)cc1)C(O)=O
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| InChI |
InChI=1S/C22H24ClF3O4/c1-3-21(2,20(27)28)14-15-5-8-17(9-6-15)29-11-4-12-30-19-10-7-16(13-18(19)23)22(24,25)26/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,27,28)/t21-/m0/s1
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| InChIKey |
JCFQLEQXRPWVTQ-NRFANRHFSA-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