General Information of the Compound
| Compound ID |
CP0425181
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| Compound Name |
1-(4-(5-butoxybenzofuran-2-yl)-3-methoxybenzyl)azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C24H27NO5
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| Molecular Weight |
409.482
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| Canonical SMILES |
CCCCOc1ccc2oc(cc2c1)-c1ccc(CN2CC(C2)C(O)=O)cc1OC
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| InChI |
InChI=1S/C24H27NO5/c1-3-4-9-29-19-6-8-21-17(11-19)12-23(30-21)20-7-5-16(10-22(20)28-2)13-25-14-18(15-25)24(26)27/h5-8,10-12,18H,3-4,9,13-15H2,1-2H3,(H,26,27)
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| InChIKey |
BFJBNYIYUUPKMY-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