General Information of the Compound
| Compound ID |
CP0380310
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| Compound Name |
1-(4-(5-(piperidin-1-yl)benzofuran-2-yl)benzyl)azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C24H26N2O3
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| Molecular Weight |
390.483
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(cc2)-c2cc3cc(ccc3o2)N2CCCCC2)C1
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| InChI |
InChI=1S/C24H26N2O3/c27-24(28)20-15-25(16-20)14-17-4-6-18(7-5-17)23-13-19-12-21(8-9-22(19)29-23)26-10-2-1-3-11-26/h4-9,12-13,20H,1-3,10-11,14-16H2,(H,27,28)
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| InChIKey |
QTTFXOIJPBIYRF-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