General Information of the Compound
| Compound ID |
CP0309152
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| Compound Name |
2-(4-chloro-2-(1-methylcyclohexyl)phenoxy)acetic acid
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| Structure |
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| Formula |
C15H19ClO3
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| Molecular Weight |
282.767
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| Canonical SMILES |
CC1(CCCCC1)c1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C15H19ClO3/c1-15(7-3-2-4-8-15)12-9-11(16)5-6-13(12)19-10-14(17)18/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,18)
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| InChIKey |
KXQIDGUEPXCGEV-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