General Information of the Compound
| Compound ID |
CP0379609
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| Compound Name |
N-[3-[2,6-dimethyl-4-[5-[5-methyl-4-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
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| Structure |
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| Formula |
C24H31N3O5S
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| Molecular Weight |
473.595
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| Canonical SMILES |
CC(C)Cc1cc(sc1C)-c1nc(no1)-c1cc(C)c(OCC(O)CNC(=O)CO)c(C)c1
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| InChI |
InChI=1S/C24H31N3O5S/c1-13(2)6-17-9-20(33-16(17)5)24-26-23(27-32-24)18-7-14(3)22(15(4)8-18)31-12-19(29)10-25-21(30)11-28/h7-9,13,19,28-29H,6,10-12H2,1-5H3,(H,25,30)
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| InChIKey |
BVAJHDUZKISYLF-UHFFFAOYSA-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