General Information of the Compound
| Compound ID |
CP0863955
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| Compound Name |
3-(6-(2,6-dichlorobenzyloxy)-7-fluoro-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)propanoic acid hydrochloride
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| Structure |
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| Formula |
C22H23Cl3FNO4
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| Molecular Weight |
490.786
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| Canonical SMILES |
Cl.O=C(O)CCN1CCC2(CC1)COc1c2ccc(OCc2c(Cl)cccc2Cl)c1F
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| InChI |
InChI=1S/C22H22Cl2FNO4.ClH/c23-16-2-1-3-17(24)14(16)12-29-18-5-4-15-21(20(18)25)30-13-22(15)7-10-26(11-8-22)9-6-19(27)28;/h1-5H,6-13H2,(H,27,28);1H
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| InChIKey |
UGFXLTABIXNHRO-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