General Information of the Compound
| Compound ID |
CP0385045
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| Compound Name |
ethyl 2-methyl-3-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]propanoate
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| Structure |
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| Formula |
C21H22F3NO3
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| Molecular Weight |
393.405
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| Canonical SMILES |
CCOC(=O)C(C)Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C21H22F3NO3/c1-3-28-20(27)14(2)12-15-8-10-16(11-9-15)19(26)25-13-17-6-4-5-7-18(17)21(22,23)24/h4-11,14H,3,12-13H2,1-2H3,(H,25,26)
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| InChIKey |
NECJZYLZAOCUBL-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