General Information of the Compound
| Compound ID |
CP0393723
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| Compound Name |
1-(4-(5-(pyridin-3-yl)benzofuran-2-yl)benzyl)azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C24H20N2O3
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| Molecular Weight |
384.435
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(cc2)-c2cc3cc(ccc3o2)-c2cccnc2)C1
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| InChI |
InChI=1S/C24H20N2O3/c27-24(28)21-14-26(15-21)13-16-3-5-17(6-4-16)23-11-20-10-18(7-8-22(20)29-23)19-2-1-9-25-12-19/h1-12,21H,13-15H2,(H,27,28)
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| InChIKey |
ZJMZEWHLHVCIQJ-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