General Information of the Compound
| Compound ID |
CP0109514
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| Compound Name |
ethyl 2-phenyl-3-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]propanoate
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| Structure |
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| Formula |
C26H24F3NO3
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| Molecular Weight |
455.476
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| Canonical SMILES |
CCOC(=O)C(Cc1ccc(cc1)C(=O)NCc1ccccc1C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C26H24F3NO3/c1-2-33-25(32)22(19-8-4-3-5-9-19)16-18-12-14-20(15-13-18)24(31)30-17-21-10-6-7-11-23(21)26(27,28)29/h3-15,22H,2,16-17H2,1H3,(H,30,31)
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| InChIKey |
FOQHPXVXFPHZJP-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