General Information of the Compound
| Compound ID |
CP0489938
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| Compound Name |
3-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propanoic acid
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| Structure |
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| Formula |
C26H21F3N2O3
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| Molecular Weight |
466.459
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| Canonical SMILES |
OC(=O)CCc1nc(c[nH]1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H21F3N2O3/c27-26(28,29)21-14-20(22-15-30-24(31-22)12-13-25(32)33)10-11-23(21)34-16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-11,14-15H,12-13,16H2,(H,30,31)(H,32,33)
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| InChIKey |
GNVRGWSOTVTAIC-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