General Information of the Compound
| Compound ID |
CP0559244
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| Compound Name |
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[3-(propylaminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
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| Structure |
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| Formula |
C26H34N4O5
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| Molecular Weight |
482.581
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| Canonical SMILES |
CCCNCc1cccc(c1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1
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| InChI |
InChI=1S/C26H34N4O5/c1-4-9-27-13-18-7-6-8-20(11-18)26-29-25(30-35-26)21-10-17(3)24(19(5-2)12-21)34-16-22(32)14-28-23(33)15-31/h6-8,10-12,22,27,31-32H,4-5,9,13-16H2,1-3H3,(H,28,33)/t22-/m0/s1
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| InChIKey |
VMJUEDHEFRCEJV-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