General Information of the Compound
| Compound ID |
CP0544750
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| Compound Name |
ethyl 4-[3-[3,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propanoylamino]benzoate
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| Structure |
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| Formula |
C26H23Cl2F3N2O3
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| Molecular Weight |
539.381
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| Canonical SMILES |
CCOC(=O)c1ccc(NC(=O)CCN(Cc2ccc(cc2)C(F)(F)F)c2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C26H23Cl2F3N2O3/c1-2-36-25(35)18-5-9-20(10-6-18)32-24(34)13-14-33(21-11-12-22(27)23(28)15-21)16-17-3-7-19(8-4-17)26(29,30)31/h3-12,15H,2,13-14,16H2,1H3,(H,32,34)
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| InChIKey |
GAKVLBUFFYIOKW-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