General Information of the Compound
| Compound ID |
CP0225195
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| Compound Name |
3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid {4-[ethyl-(2-hydroxy-ethyl)-amino]-phenyl}-amide
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| Structure |
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| Formula |
C21H21Cl2N3O3
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| Molecular Weight |
434.323
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| Canonical SMILES |
CCN(CCO)c1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1
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| InChI |
InChI=1S/C21H21Cl2N3O3/c1-3-26(11-12-27)15-9-7-14(8-10-15)24-21(28)18-13(2)29-25-20(18)19-16(22)5-4-6-17(19)23/h4-10,27H,3,11-12H2,1-2H3,(H,24,28)
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| InChIKey |
IZZRMCWLXAQLQJ-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