General Information of the Compound
| Compound ID |
CP0367518
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| Compound Name |
3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid (4-diethylamino-2-methyl-phenyl)-amide
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| Structure |
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| Formula |
C22H23Cl2N3O2
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| Molecular Weight |
432.351
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| Canonical SMILES |
CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)c(C)c1
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| InChI |
InChI=1S/C22H23Cl2N3O2/c1-5-27(6-2)15-10-11-18(13(3)12-15)25-22(28)19-14(4)29-26-21(19)20-16(23)8-7-9-17(20)24/h7-12H,5-6H2,1-4H3,(H,25,28)
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| InChIKey |
SISZKKJQBDYWFW-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