General Information of the Compound
| Compound ID |
CP0398775
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| Compound Name |
1-(4-(5-phenethylbenzofuran-2-yl)benzyl)azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C27H25NO3
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| Molecular Weight |
411.501
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(cc2)-c2cc3cc(CCc4ccccc4)ccc3o2)C1
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| InChI |
InChI=1S/C27H25NO3/c29-27(30)24-17-28(18-24)16-21-8-11-22(12-9-21)26-15-23-14-20(10-13-25(23)31-26)7-6-19-4-2-1-3-5-19/h1-5,8-15,24H,6-7,16-18H2,(H,29,30)
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| InChIKey |
XYPTYXXFJCJHBW-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