General Information of the Compound
| Compound ID |
CP0408513
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| Compound Name |
4-(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)butanoic acid
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| Structure |
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| Formula |
C25H28N2O3
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| Molecular Weight |
404.51
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| Canonical SMILES |
Cc1cc(CCCC(O)=O)ccc1-c1noc(n1)-c1ccc(cc1)C1CCCCC1
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| InChI |
InChI=1S/C25H28N2O3/c1-17-16-18(6-5-9-23(28)29)10-15-22(17)24-26-25(30-27-24)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h10-16,19H,2-9H2,1H3,(H,28,29)
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| InChIKey |
ZSPIRWTWXYOJOE-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