General Information of the Compound
| Compound ID |
CP0460505
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| Compound Name |
2-Methoxy-3-[4-methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)-phenyl]-propionic acid
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| Structure |
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| Formula |
C20H20F3NO5
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| Molecular Weight |
411.376
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| Canonical SMILES |
COC(Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C20H20F3NO5/c1-28-16-8-5-13(10-17(29-2)19(26)27)9-15(16)18(25)24-11-12-3-6-14(7-4-12)20(21,22)23/h3-9,17H,10-11H2,1-2H3,(H,24,25)(H,26,27)
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| InChIKey |
MQSZYPGPYYEKHH-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