General Information of the Compound
| Compound ID |
CP0380202
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| Compound Name |
(5S)-5-[[2,4-dimethyl-6-[5-[2-methyl-6-(2-methylpropyl)pyridin-4-yl]-1,2,4-oxadiazol-3-yl]pyridin-3-yl]oxymethyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C24H29N5O3
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| Molecular Weight |
435.528
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| Canonical SMILES |
CC(C)Cc1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H]2CCC(=O)N2)c(C)n1
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| InChI |
InChI=1S/C24H29N5O3/c1-13(2)8-19-11-17(10-15(4)25-19)24-28-23(29-32-24)20-9-14(3)22(16(5)26-20)31-12-18-6-7-21(30)27-18/h9-11,13,18H,6-8,12H2,1-5H3,(H,27,30)/t18-/m0/s1
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| InChIKey |
SDCQNJRPSLMFIT-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
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5