General Information of the Compound
| Compound ID |
CP0459614
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| Compound Name |
N-[(2S)-3-[2-ethyl-4-[5-(5-formyl-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
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| Structure |
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| Formula |
C22H25N3O6S
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| Molecular Weight |
459.524
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| Canonical SMILES |
CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)c(C=O)s1
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| InChI |
InChI=1S/C22H25N3O6S/c1-4-14-7-15(5-13(3)20(14)30-11-16(28)8-23-19(29)10-27)21-24-22(31-25-21)17-6-12(2)18(9-26)32-17/h5-7,9,16,27-28H,4,8,10-11H2,1-3H3,(H,23,29)/t16-/m0/s1
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| InChIKey |
RNOFIACGURSZOY-INIZCTEOSA-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