General Information of the Compound
| Compound ID |
CP0568358
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| Compound Name |
sodium;1-[[4-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]methyl]azetidine-3-carboxylate
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| Structure |
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| Formula |
C19H18N3NaO3
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| Molecular Weight |
359.361
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| Canonical SMILES |
[Na+].[O-]C(=O)C1CN(Cc2ccc(cc2)C2=NOC(C2)c2ccccn2)C1
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| InChI |
InChI=1S/C19H19N3O3.Na/c23-19(24)15-11-22(12-15)10-13-4-6-14(7-5-13)17-9-18(25-21-17)16-3-1-2-8-20-16;/h1-8,15,18H,9-12H2,(H,23,24);/q;+1/p-1
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| InChIKey |
RUIICPOWGSGSEE-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