General Information of the Compound
| Compound ID |
CP0505145
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| Compound Name |
N-[(2S)-3-[4-[5-(2-cyclobutyl-6-ethylpyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
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| Structure |
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| Formula |
C27H34N4O5
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| Molecular Weight |
494.592
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| Canonical SMILES |
CCc1cc(cc(n1)C1CCC1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1
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| InChI |
InChI=1S/C27H34N4O5/c1-4-17-10-19(9-16(3)25(17)35-15-22(33)13-28-24(34)14-32)26-30-27(36-31-26)20-11-21(5-2)29-23(12-20)18-7-6-8-18/h9-12,18,22,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t22-/m0/s1
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| InChIKey |
WXACIYJRXSPHIJ-QFIPXVFZSA-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