General Information of the Compound
| Compound ID |
CP0417506
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| Compound Name |
(5R)-5-[5-chloro-2-fluoro-4-[5-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one
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| Structure |
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| Formula |
C23H25ClFN5O3
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| Molecular Weight |
473.936
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| Canonical SMILES |
CC(C)Cc1cc(nc(C)n1)-c1nc(no1)-c1cc(F)c(O[C@@H]2CCC(=O)N(C)C2)cc1Cl
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| InChI |
InChI=1S/C23H25ClFN5O3/c1-12(2)7-14-8-19(27-13(3)26-14)23-28-22(29-33-23)16-9-18(25)20(10-17(16)24)32-15-5-6-21(31)30(4)11-15/h8-10,12,15H,5-7,11H2,1-4H3/t15-/m1/s1
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| InChIKey |
MUINZQQLLPFAQS-OAHLLOKOSA-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