General Information of the Compound
| Compound ID |
CP0403262
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| Compound Name |
1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid
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| Synonyms |
(r/s)-1-(4-nonylbenzyl)-pyrrolidin-3-ylphosphonic acid
1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid
570423-38-0
BDBM50152329
CHEMBL184349
CTK1F3135
DTXSID10437782
PRUUCTGBHIGGOH-UHFFFAOYSA-N
Phosphonic acid, [1-[(4-nonylphenyl)methyl]-3-pyrrolidinyl]-
SCHEMBL13937997
[1-(4-Nonyl-benzyl)-pyrrolidin-3-yl]-phosphonic acid
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| Structure |
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| Formula |
C20H34NO3P
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| Molecular Weight |
367.47
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| Canonical SMILES |
CCCCCCCCCc1ccc(CN2CCC(C2)P(O)(O)=O)cc1
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| InChI |
InChI=1S/C20H34NO3P/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)16-21-15-14-20(17-21)25(22,23)24/h10-13,20H,2-9,14-17H2,1H3,(H2,22,23,24)
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| InChIKey |
PRUUCTGBHIGGOH-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