General Information of the Compound
| Compound ID |
CP0414090
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| Compound Name |
1-[[6-[(2-methoxy-4-propylphenyl)methoxy]-1,5-dimethyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C28H35NO4
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| Molecular Weight |
449.591
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| Canonical SMILES |
CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2C)c(OC)c1
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| InChI |
InChI=1S/C28H35NO4/c1-5-6-20-7-8-22(27(13-20)32-4)17-33-26-12-11-24-18(2)21(9-10-25(24)19(26)3)14-29-15-23(16-29)28(30)31/h7-8,11-13,23H,5-6,9-10,14-17H2,1-4H3,(H,30,31)
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| InChIKey |
NGCLVQMEXRWWQR-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