General Information of the Compound
| Compound ID |
CP0490503
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| Compound Name |
1-[[4-[5-[4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C24H20F2N4O4
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| Molecular Weight |
466.444
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| Canonical SMILES |
CC(F)(F)c1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
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| InChI |
InChI=1S/C24H20F2N4O4/c1-24(25,26)18-19(28-33-20(18)15-5-3-2-4-6-15)22-27-21(29-34-22)16-9-7-14(8-10-16)11-30-12-17(13-30)23(31)32/h2-10,17H,11-13H2,1H3,(H,31,32)
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| InChIKey |
VRKIBLMQZSLKNF-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