General Information of the Compound
| Compound ID |
CP0390243
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| Compound Name |
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-propylpyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
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| Structure |
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| Formula |
C24H30N4O5
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| Molecular Weight |
454.527
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| Canonical SMILES |
CCCc1cc(ccn1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1
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| InChI |
InChI=1S/C24H30N4O5/c1-4-6-19-11-17(7-8-25-19)24-27-23(28-33-24)18-9-15(3)22(16(5-2)10-18)32-14-20(30)12-26-21(31)13-29/h7-11,20,29-30H,4-6,12-14H2,1-3H3,(H,26,31)/t20-/m0/s1
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| InChIKey |
VYUYMNNZGDEJLE-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