General Information of the Compound
| Compound ID |
CP0863961
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| Compound Name |
3-(6-(2,6-dichlorobenzyloxy)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)-2-methylpropanoic acid hydrochloride
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| Structure |
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| Formula |
C23H26Cl3NO4
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| Molecular Weight |
486.823
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| Canonical SMILES |
CC(CN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12)C(=O)O.Cl
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| InChI |
InChI=1S/C23H25Cl2NO4.ClH/c1-15(22(27)28)12-26-9-7-23(8-10-26)14-30-21-11-16(5-6-18(21)23)29-13-17-19(24)3-2-4-20(17)25;/h2-6,11,15H,7-10,12-14H2,1H3,(H,27,28);1H
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| InChIKey |
HSIUJVNJAIBHSM-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