General Information of the Compound
| Compound ID |
CP0404704
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| Compound Name |
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(5-methyl-6-pyrrolidin-1-ylpyridin-3-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
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| Structure |
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| Formula |
C26H33N5O5
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| Molecular Weight |
495.58
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| Canonical SMILES |
CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cnc(N2CCCC2)c(C)c1
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| InChI |
InChI=1S/C26H33N5O5/c1-4-18-11-19(9-16(2)23(18)35-15-21(33)13-27-22(34)14-32)24-29-26(36-30-24)20-10-17(3)25(28-12-20)31-7-5-6-8-31/h9-12,21,32-33H,4-8,13-15H2,1-3H3,(H,27,34)/t21-/m0/s1
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| InChIKey |
ZCUYVGPJDJHYOS-NRFANRHFSA-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