General Information of the Compound
| Compound ID |
CP0401797
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| Compound Name |
1-[(4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C18H19NO3
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| Molecular Weight |
297.354
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(OCc3ccccc3)cc2)C1
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| InChI |
InChI=1S/C18H19NO3/c20-18(21)16-11-19(12-16)10-14-6-8-17(9-7-14)22-13-15-4-2-1-3-5-15/h1-9,16H,10-13H2,(H,20,21)
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| InChIKey |
SQWUFJAACJIQGB-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