General Information of the Compound
| Compound ID |
CP0398778
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| Compound Name |
1-(4-(5-(cyclopentylmethoxy)benzofuran-2-yl)-3-fluorobenzyl)azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C25H26FNO4
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| Molecular Weight |
423.484
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(-c3cc4cc(OCC5CCCC5)ccc4o3)c(F)c2)C1
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| InChI |
InChI=1S/C25H26FNO4/c26-22-9-17(12-27-13-19(14-27)25(28)29)5-7-21(22)24-11-18-10-20(6-8-23(18)31-24)30-15-16-3-1-2-4-16/h5-11,16,19H,1-4,12-15H2,(H,28,29)
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| InChIKey |
FRFMAYDLFUKCGC-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