General Information of the Compound
| Compound ID |
CP0393727
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| Compound Name |
1-((2-(5-butoxybenzofuran-2-yl)thiazol-5-yl)methyl)azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C20H22N2O4S
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| Molecular Weight |
386.473
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| Canonical SMILES |
CCCCOc1ccc2oc(cc2c1)-c1ncc(CN2CC(C2)C(O)=O)s1
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| InChI |
InChI=1S/C20H22N2O4S/c1-2-3-6-25-15-4-5-17-13(7-15)8-18(26-17)19-21-9-16(27-19)12-22-10-14(11-22)20(23)24/h4-5,7-9,14H,2-3,6,10-12H2,1H3,(H,23,24)
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| InChIKey |
LHCOLDKKHIYDRM-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