General Information of the Compound
| Compound ID |
CP0545370
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| Compound Name |
sodium;1-[[4-[5-(4-ethylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]methyl]azetidine-3-carboxylate
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| Structure |
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| Formula |
C22H23N2NaO3
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| Molecular Weight |
386.427
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| Canonical SMILES |
[Na+].CCc1ccc(cc1)C1CC(=NO1)c1ccc(CN2CC(C2)C([O-])=O)cc1
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| InChI |
InChI=1S/C22H24N2O3.Na/c1-2-15-3-9-18(10-4-15)21-11-20(23-27-21)17-7-5-16(6-8-17)12-24-13-19(14-24)22(25)26;/h3-10,19,21H,2,11-14H2,1H3,(H,25,26);/q;+1/p-1
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| InChIKey |
VTKJGBWCFGHWAK-UHFFFAOYSA-M
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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