General Information of the Compound
| Compound ID |
CP0419846
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| Compound Name |
1-(4-nonylbenzyl)azetidine-3-carboxylic acid
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| Synonyms |
1-(4-nonylbenzyl)azetidine-3-carboxylic acid
3-Azetidinecarboxylic acid, 1-[(4-nonylphenyl)methyl]-
570423-68-6
AKOS030540874
BDBM50158342
CHEMBL224623
CTK1F3133
DTXSID30436176
SCHEMBL13271128
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| Structure |
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| Formula |
C20H31NO2
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| Molecular Weight |
317.473
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| Canonical SMILES |
CCCCCCCCCc1ccc(CN2CC(C2)C(O)=O)cc1
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| InChI |
InChI=1S/C20H31NO2/c1-2-3-4-5-6-7-8-9-17-10-12-18(13-11-17)14-21-15-19(16-21)20(22)23/h10-13,19H,2-9,14-16H2,1H3,(H,22,23)
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| InChIKey |
OVHZTRSKNATTNM-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: PT01837, Sphingosine 1-phosphate receptor 2
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3
Protein ID: PT01779, Sphingosine 1-phosphate receptor 4
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5
Clinical Information about the Compound