General Information of the Compound
| Compound ID |
CP0393726
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| Compound Name |
1-(4-(5-benzylbenzofuran-2-yl)benzyl)azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C26H23NO3
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| Molecular Weight |
397.474
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(cc2)-c2cc3cc(Cc4ccccc4)ccc3o2)C1
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| InChI |
InChI=1S/C26H23NO3/c28-26(29)23-16-27(17-23)15-19-6-9-21(10-7-19)25-14-22-13-20(8-11-24(22)30-25)12-18-4-2-1-3-5-18/h1-11,13-14,23H,12,15-17H2,(H,28,29)
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| InChIKey |
HYYWPUUKZDQUNM-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