General Information of the Compound
| Compound ID |
CP0454272
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| Compound Name |
4-Amino-6-(4-octyl-phenyl)-hexanoic acid
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| Synonyms |
4-Amino-6-(4-octyl-phenyl)-hexanoic acid
4-amino-6-(4-octylphenyl)hexanoic Acid
4-amino-6-(4-octylphenyl)hexanoic acid
BDBM50147701
CHEMBL325050
SCHEMBL5462898
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| Structure |
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| Formula |
C20H33NO2
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| Molecular Weight |
319.489
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| Canonical SMILES |
CCCCCCCCc1ccc(CCC(N)CCC(O)=O)cc1
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| InChI |
InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(21)15-16-20(22)23/h9-12,19H,2-8,13-16,21H2,1H3,(H,22,23)
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| InChIKey |
UUODWPRHRNIITI-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
Protein ID: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3
Protein ID: PT01779, Sphingosine 1-phosphate receptor 4
Clinical Information about the Compound