General Information of the Compound
| Compound ID |
CP0559385
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| Compound Name |
US10179791, Compound 128
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| Structure |
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| Formula |
C23H25Cl2NO4
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| Molecular Weight |
450.362
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| Canonical SMILES |
OC(=O)CCCN1CCC2(COc3cc(OCc4c(Cl)cccc4Cl)ccc23)CC1
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| InChI |
InChI=1S/C23H25Cl2NO4/c24-19-3-1-4-20(25)17(19)14-29-16-6-7-18-21(13-16)30-15-23(18)8-11-26(12-9-23)10-2-5-22(27)28/h1,3-4,6-7,13H,2,5,8-12,14-15H2,(H,27,28)
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| InChIKey |
FZXZCTPXFSWULS-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