General Information of the Compound
| Compound ID |
CP0457393
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| Compound Name |
N-[(2R)-3-[2-ethyl-6-methyl-4-[5-[6-(2-methylpropyl)pyridin-3-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
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| Structure |
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| Formula |
C25H32N4O5
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| Molecular Weight |
468.554
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| Canonical SMILES |
CCc1cc(cc(C)c1OC[C@H](O)CNC(=O)CO)-c1noc(n1)-c1ccc(CC(C)C)nc1
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| InChI |
InChI=1S/C25H32N4O5/c1-5-17-10-19(9-16(4)23(17)33-14-21(31)12-27-22(32)13-30)24-28-25(34-29-24)18-6-7-20(26-11-18)8-15(2)3/h6-7,9-11,15,21,30-31H,5,8,12-14H2,1-4H3,(H,27,32)/t21-/m1/s1
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| InChIKey |
JQWWHUICSFOVNE-OAQYLSRUSA-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