General Information of the Compound
| Compound ID |
CP0425163
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| Compound Name |
(5S)-5-[2-methyl-6-[5-[2-methyl-6-(propan-2-ylamino)pyridin-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-3-yl]oxypiperidin-2-one
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| Structure |
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| Formula |
C22H26N6O3
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| Molecular Weight |
422.489
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| Canonical SMILES |
CC(C)Nc1cc(cc(C)n1)-c1nc(no1)-c1ccc(O[C@H]2CCC(=O)NC2)c(C)n1
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| InChI |
InChI=1S/C22H26N6O3/c1-12(2)24-19-10-15(9-13(3)25-19)22-27-21(28-31-22)17-6-7-18(14(4)26-17)30-16-5-8-20(29)23-11-16/h6-7,9-10,12,16H,5,8,11H2,1-4H3,(H,23,29)(H,24,25)/t16-/m0/s1
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| InChIKey |
SFBFJQXHRYGKHV-INIZCTEOSA-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