General Information of the Compound
| Compound ID |
CP0394080
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| Compound Name |
3-(4-(5-(4-isopropoxy-3-methoxyphenyl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoic acid
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| Structure |
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| Formula |
C22H24N2O5
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| Molecular Weight |
396.443
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| Canonical SMILES |
COc1cc(ccc1OC(C)C)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
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| InChI |
InChI=1S/C22H24N2O5/c1-13(2)28-18-9-7-16(12-19(18)27-4)22-23-21(24-29-22)17-8-5-15(11-14(17)3)6-10-20(25)26/h5,7-9,11-13H,6,10H2,1-4H3,(H,25,26)
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| InChIKey |
PBSBPEBXURPARK-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