General Information of the Compound
| Compound ID |
CP0385091
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| Compound Name |
(5R)-5-[2-fluoro-4-[5-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one
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| Structure |
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| Formula |
C22H24FN5O3
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| Molecular Weight |
425.464
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| Canonical SMILES |
CC(C)Cc1cc(nc(C)n1)-c1nc(no1)-c1ccc(O[C@@H]2CCC(=O)NC2)c(F)c1
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| InChI |
InChI=1S/C22H24FN5O3/c1-12(2)8-15-10-18(26-13(3)25-15)22-27-21(28-31-22)14-4-6-19(17(23)9-14)30-16-5-7-20(29)24-11-16/h4,6,9-10,12,16H,5,7-8,11H2,1-3H3,(H,24,29)/t16-/m1/s1
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| InChIKey |
GMEODUAZQQLOFF-MRXNPFEDSA-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
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5