General Information of the Compound
| Compound ID |
CP0034717
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| Compound Name |
(S)-2-(4-(3-(2-chloro-4-cyclohexylphenoxy)propoxy)benzyl)-2-methylbutanoic acid
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| Structure |
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| Formula |
C27H35ClO4
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| Molecular Weight |
459.026
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| Canonical SMILES |
CC[C@@](C)(Cc1ccc(OCCCOc2ccc(cc2Cl)C2CCCCC2)cc1)C(O)=O
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| InChI |
InChI=1S/C27H35ClO4/c1-3-27(2,26(29)30)19-20-10-13-23(14-11-20)31-16-7-17-32-25-15-12-22(18-24(25)28)21-8-5-4-6-9-21/h10-15,18,21H,3-9,16-17,19H2,1-2H3,(H,29,30)/t27-/m0/s1
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| InChIKey |
NGDLNDXURJLNCZ-MHZLTWQESA-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