General Information of the Compound
| Compound ID |
CP0364417
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| Compound Name |
ethyl 2-[[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoate
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| Structure |
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| Formula |
C22H24F3NO3
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| Molecular Weight |
407.432
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| Canonical SMILES |
CCOC(=O)C(CC)Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C22H24F3NO3/c1-3-16(21(28)29-4-2)13-15-9-11-17(12-10-15)20(27)26-14-18-7-5-6-8-19(18)22(23,24)25/h5-12,16H,3-4,13-14H2,1-2H3,(H,26,27)
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| InChIKey |
VGNKBVUEYVJVLE-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