General Information of the Compound
| Compound ID |
CP0406155
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| Compound Name |
1-[[4-(1-phenylethoxy)phenyl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C19H21NO3
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| Molecular Weight |
311.381
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| Canonical SMILES |
CC(Oc1ccc(CN2CC(C2)C(O)=O)cc1)c1ccccc1
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| InChI |
InChI=1S/C19H21NO3/c1-14(16-5-3-2-4-6-16)23-18-9-7-15(8-10-18)11-20-12-17(13-20)19(21)22/h2-10,14,17H,11-13H2,1H3,(H,21,22)
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| InChIKey |
ZRCWLMRRCOPELC-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: PT01780, Sphingosine 1-phosphate receptor 5