General Information of the Compound
| Compound ID |
CP0524460
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| Compound Name |
4-(5-(2,5-dichlorophenyl)furan-2-carboxamido)-3,5-dimethylbenzyl acetate
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| Structure |
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| Formula |
C22H19Cl2NO4
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| Molecular Weight |
432.303
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| Canonical SMILES |
CC(=O)OCc1cc(C)c(NC(=O)c2ccc(o2)-c2cc(Cl)ccc2Cl)c(C)c1
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| InChI |
InChI=1S/C22H19Cl2NO4/c1-12-8-15(11-28-14(3)26)9-13(2)21(12)25-22(27)20-7-6-19(29-20)17-10-16(23)4-5-18(17)24/h4-10H,11H2,1-3H3,(H,25,27)
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| InChIKey |
LAMALDFRIXECQV-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