General Information of the Compound
| Compound ID |
CP0517777
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| Compound Name |
1-[[6-[(2-methoxy-6-propylpyridin-3-yl)methoxy]-1,5-dimethyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C27H34N2O4
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| Molecular Weight |
450.579
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| Canonical SMILES |
CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2C)c(OC)n1
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| InChI |
InChI=1S/C27H34N2O4/c1-5-6-22-9-7-20(26(28-22)32-4)16-33-25-12-11-23-17(2)19(8-10-24(23)18(25)3)13-29-14-21(15-29)27(30)31/h7,9,11-12,21H,5-6,8,10,13-16H2,1-4H3,(H,30,31)
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| InChIKey |
MXZIRVTVYJQODC-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