General Information of the Compound
| Compound ID |
CP0390335
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| Compound Name |
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-methyl-6-propan-2-yloxypyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
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| Structure |
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| Formula |
C25H32N4O6
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| Molecular Weight |
484.553
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| Canonical SMILES |
CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)nc(OC(C)C)c1
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| InChI |
InChI=1S/C25H32N4O6/c1-6-17-9-18(7-15(4)23(17)33-13-20(31)11-26-21(32)12-30)24-28-25(35-29-24)19-8-16(5)27-22(10-19)34-14(2)3/h7-10,14,20,30-31H,6,11-13H2,1-5H3,(H,26,32)/t20-/m0/s1
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| InChIKey |
MUPCCRIUPDCKJW-FQEVSTJZSA-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