General Information of the Compound
| Compound ID |
CP0550286
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| Compound Name |
sodium;1-[[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]methyl]piperidine-4-carboxylate
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| Structure |
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| Formula |
C25H28ClN2NaO4
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| Molecular Weight |
478.952
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| Canonical SMILES |
[Na+].CC(C)Oc1ccc(cc1Cl)C1CC(=NO1)c1ccc(CN2CCC(CC2)C([O-])=O)cc1
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| InChI |
InChI=1S/C25H29ClN2O4.Na/c1-16(2)31-23-8-7-20(13-21(23)26)24-14-22(27-32-24)18-5-3-17(4-6-18)15-28-11-9-19(10-12-28)25(29)30;/h3-8,13,16,19,24H,9-12,14-15H2,1-2H3,(H,29,30);/q;+1/p-1
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| InChIKey |
KUXQZKAGCJJXDZ-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