General Information of the Compound
| Compound ID |
CP0152861
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| Compound Name |
3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid [4-(ethyl-methyl-amino)-phenyl]-amide
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| Structure |
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| Formula |
C20H19Cl2N3O2
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| Molecular Weight |
404.297
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| Canonical SMILES |
CCN(C)c1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1
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| InChI |
InChI=1S/C20H19Cl2N3O2/c1-4-25(3)14-10-8-13(9-11-14)23-20(26)17-12(2)27-24-19(17)18-15(21)6-5-7-16(18)22/h5-11H,4H2,1-3H3,(H,23,26)
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| InChIKey |
GYLVAPJVMFKONR-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