General Information of the Compound
| Compound ID |
CP0069723
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| Compound Name |
4-octylphenol
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| Structure |
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| Formula |
C14H22O
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| Molecular Weight |
206.329
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| Canonical SMILES |
CCCCCCCCc1ccc(O)cc1
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| InChI |
InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3
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| InChIKey |
NTDQQZYCCIDJRK-UHFFFAOYSA-N
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| CAS |
71902-25-5
1806-26-4
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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
Protein ID: PT00820, Acetylcholinesterase
Protein ID: PT00886, Estrogen receptor
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT00901, Prostaglandin G/H synthase 2