General Information of the Compound
| Compound ID |
CP0568356
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| Compound Name |
sodium;1-[[4-[5-[4-(chloromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]methyl]azetidine-3-carboxylate
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| Structure |
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| Formula |
C21H20ClN2NaO3
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| Molecular Weight |
406.845
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| Canonical SMILES |
[Na+].[O-]C(=O)C1CN(Cc2ccc(cc2)C2=NOC(C2)c2ccc(CCl)cc2)C1
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| InChI |
InChI=1S/C21H21ClN2O3.Na/c22-10-14-1-7-17(8-2-14)20-9-19(23-27-20)16-5-3-15(4-6-16)11-24-12-18(13-24)21(25)26;/h1-8,18,20H,9-13H2,(H,25,26);/q;+1/p-1
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| InChIKey |
MWTHRZOLWLIACZ-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