General Information of the Compound
| Compound ID |
CP0572693
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| Compound Name |
N-[(2S)-3-[4-[5-[5-[(dimethylamino)methyl]-4-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
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| Structure |
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| Formula |
C24H32N4O5S
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| Molecular Weight |
488.61
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| Canonical SMILES |
CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)c(CN(C)C)s1
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| InChI |
InChI=1S/C24H32N4O5S/c1-6-16-9-17(7-15(3)22(16)32-13-18(30)10-25-21(31)12-29)23-26-24(33-27-23)19-8-14(2)20(34-19)11-28(4)5/h7-9,18,29-30H,6,10-13H2,1-5H3,(H,25,31)/t18-/m0/s1
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| InChIKey |
GGAZMDZGCAJXLE-SFHVURJKSA-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