General Information of the Compound
| Compound ID |
CP0498490
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| Compound Name |
3-(2,6-Dichloro-phenyl)-5-isopropyl-isoxazole-4-carboxylic acid (4-diethylamino-phenyl)-amide
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| Structure |
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| Formula |
C23H25Cl2N3O2
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| Molecular Weight |
446.378
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| Canonical SMILES |
CCN(CC)c1ccc(NC(=O)c2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1
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| InChI |
InChI=1S/C23H25Cl2N3O2/c1-5-28(6-2)16-12-10-15(11-13-16)26-23(29)20-21(27-30-22(20)14(3)4)19-17(24)8-7-9-18(19)25/h7-14H,5-6H2,1-4H3,(H,26,29)
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| InChIKey |
FSXIPPGSTKLDSC-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