General Information of the Compound
| Compound ID |
CP0386358
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| Compound Name |
N-[3-[4-[5-(5-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
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| Structure |
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| Formula |
C21H25N3O5S
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| Molecular Weight |
431.514
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| Canonical SMILES |
CCc1ccc(s1)-c1nc(no1)-c1cc(C)c(OCC(O)CNC(=O)CO)c(C)c1
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| InChI |
InChI=1S/C21H25N3O5S/c1-4-16-5-6-17(30-16)21-23-20(24-29-21)14-7-12(2)19(13(3)8-14)28-11-15(26)9-22-18(27)10-25/h5-8,15,25-26H,4,9-11H2,1-3H3,(H,22,27)
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| InChIKey |
RKBCKRDSEUUCBO-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: PT01838, Sphingosine 1-phosphate receptor 3