General Information of the Compound
| Compound ID |
CP0444172
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| Compound Name |
1-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C19H18F3NO3
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| Molecular Weight |
365.351
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(OCc3cccc(c3)C(F)(F)F)cc2)C1
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| InChI |
InChI=1S/C19H18F3NO3/c20-19(21,22)16-3-1-2-14(8-16)12-26-17-6-4-13(5-7-17)9-23-10-15(11-23)18(24)25/h1-8,15H,9-12H2,(H,24,25)
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| InChIKey |
MMSSKRQVKABMNA-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