General Information of the Compound
| Compound ID |
CP0467495
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| Compound Name |
1-[[2-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
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| Structure |
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| Formula |
C20H20F3NO3
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| Molecular Weight |
379.378
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| Canonical SMILES |
Cc1cc(OCc2cccc(c2)C(F)(F)F)ccc1CN1CC(C1)C(O)=O
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| InChI |
InChI=1S/C20H20F3NO3/c1-13-7-18(6-5-15(13)9-24-10-16(11-24)19(25)26)27-12-14-3-2-4-17(8-14)20(21,22)23/h2-8,16H,9-12H2,1H3,(H,25,26)
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| InChIKey |
LKCNOGUUCKOMBY-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