General Information of the Compound
| Compound ID |
CP0404513
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| Compound Name |
ethyl 4-[3-[N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3,4-dichloroanilino]propanoylamino]benzoate
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| Structure |
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| Formula |
C27H22Cl2F6N2O3
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| Molecular Weight |
607.378
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| Canonical SMILES |
CCOC(=O)c1ccc(NC(=O)CCN(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C27H22Cl2F6N2O3/c1-2-40-25(39)17-3-5-20(6-4-17)36-24(38)9-10-37(21-7-8-22(28)23(29)14-21)15-16-11-18(26(30,31)32)13-19(12-16)27(33,34)35/h3-8,11-14H,2,9-10,15H2,1H3,(H,36,38)
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| InChIKey |
PRNRJYOCGJSULK-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