General Information of the Compound
| Compound ID |
CP0467529
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| Compound Name |
1-[[6-(2,3-dihydro-1H-inden-2-ylmethoxy)-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C26H29NO3
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| Molecular Weight |
403.522
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| Canonical SMILES |
CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCC3Cc4ccccc4C3)ccc12
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| InChI |
InChI=1S/C26H29NO3/c1-17-22(13-27-14-23(15-27)26(28)29)7-6-21-12-24(8-9-25(17)21)30-16-18-10-19-4-2-3-5-20(19)11-18/h2-5,8-9,12,18,23H,6-7,10-11,13-16H2,1H3,(H,28,29)
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| InChIKey |
KWLCTOBOVQSXQF-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