General Information of the Compound
| Compound ID |
CP0475809
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| Compound Name |
3-[6-[(2-chloro-6-ethylphenyl)methoxy]spiro[2H-1-benzofuran-3,3'-piperidine]-1'-yl]propanoic acid;hydrochloride
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| Structure |
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| Formula |
C24H29Cl2NO4
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| Molecular Weight |
466.405
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| Canonical SMILES |
Cl.CCc1cccc(Cl)c1COc1ccc2c(OCC22CCCN(CCC(O)=O)C2)c1
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| InChI |
InChI=1S/C24H28ClNO4.ClH/c1-2-17-5-3-6-21(25)19(17)14-29-18-7-8-20-22(13-18)30-16-24(20)10-4-11-26(15-24)12-9-23(27)28;/h3,5-8,13H,2,4,9-12,14-16H2,1H3,(H,27,28);1H
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| InChIKey |
LMTLWIFEGPTWEI-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
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5