General Information of the Compound
| Compound ID |
CP0421194
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| Compound Name |
6-(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)hexanoic acid
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| Structure |
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| Formula |
C27H32N2O3
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| Molecular Weight |
432.564
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| Canonical SMILES |
Cc1cc(CCCCCC(O)=O)ccc1-c1noc(n1)-c1ccc(cc1)C1CCCCC1
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| InChI |
InChI=1S/C27H32N2O3/c1-19-18-20(8-4-2-7-11-25(30)31)12-17-24(19)26-28-27(32-29-26)23-15-13-22(14-16-23)21-9-5-3-6-10-21/h12-18,21H,2-11H2,1H3,(H,30,31)
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| InChIKey |
NKSKKQUVMKMSNK-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
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5