General Information of the Compound
| Compound ID |
CP0447371
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| Compound Name |
1-[[1-methyl-6-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethoxy]-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C28H33NO3
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| Molecular Weight |
431.576
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| Canonical SMILES |
CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCC3CCCc4ccccc34)ccc12
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| InChI |
InChI=1S/C28H33NO3/c1-19-23(16-29-17-24(18-29)28(30)31)10-9-22-15-25(11-12-26(19)22)32-14-13-21-7-4-6-20-5-2-3-8-27(20)21/h2-3,5,8,11-12,15,21,24H,4,6-7,9-10,13-14,16-18H2,1H3,(H,30,31)
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| InChIKey |
WSBVZMDUDHTIBO-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