General Information of the Compound
| Compound ID |
CP0250829
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| Compound Name |
ethyl 2-[[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]pentanoate
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| Structure |
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| Formula |
C23H26F3NO3
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| Molecular Weight |
421.459
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| Canonical SMILES |
CCCC(Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)C(=O)OCC
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| InChI |
InChI=1S/C23H26F3NO3/c1-3-7-18(22(29)30-4-2)14-16-10-12-17(13-11-16)21(28)27-15-19-8-5-6-9-20(19)23(24,25)26/h5-6,8-13,18H,3-4,7,14-15H2,1-2H3,(H,27,28)
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| InChIKey |
PQHAVRUXNDRGCG-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