General Information of the Compound
| Compound ID |
CP0225215
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| Compound Name |
3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid (4-diethylamino-2-trifluoromethyl-phenyl)-amide
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| Structure |
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| Formula |
C22H20Cl2F3N3O2
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| Molecular Weight |
486.321
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| Canonical SMILES |
CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H20Cl2F3N3O2/c1-4-30(5-2)13-9-10-17(14(11-13)22(25,26)27)28-21(31)18-12(3)32-29-20(18)19-15(23)7-6-8-16(19)24/h6-11H,4-5H2,1-3H3,(H,28,31)
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| InChIKey |
BYHRMZWNLLKYIT-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