General Information of the Compound
| Compound ID |
CP0377590
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| Compound Name |
3-(1-methylimidazol-2-yl)-3-[4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C27H23F3N2O3
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| Molecular Weight |
480.486
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| Canonical SMILES |
Cn1ccnc1C(CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C27H23F3N2O3/c1-32-14-13-31-26(32)24(16-25(33)34)20-7-11-23(12-8-20)35-17-18-3-2-4-21(15-18)19-5-9-22(10-6-19)27(28,29)30/h2-15,24H,16-17H2,1H3,(H,33,34)
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| InChIKey |
PKWHDWJHIVRTIA-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