General Information of the Compound
| Compound ID |
CP0402878
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| Compound Name |
1-[[6-[(2-methoxy-4-methylphenyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C25H29NO4
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| Molecular Weight |
407.51
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| Canonical SMILES |
COc1cc(C)ccc1COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1
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| InChI |
InChI=1S/C25H29NO4/c1-16-4-5-20(24(10-16)29-3)15-30-22-8-9-23-17(2)19(7-6-18(23)11-22)12-26-13-21(14-26)25(27)28/h4-5,8-11,21H,6-7,12-15H2,1-3H3,(H,27,28)
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| InChIKey |
QAOPHRIHKNANPQ-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