General Information of the Compound
| Compound ID |
CP0180252
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| Compound Name |
3-(4-Chloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid (4-diethylamino-phenyl)-amide
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| Structure |
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| Formula |
C21H22ClN3O2
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| Molecular Weight |
383.879
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| Canonical SMILES |
CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C21H22ClN3O2/c1-4-25(5-2)18-12-10-17(11-13-18)23-21(26)19-14(3)27-24-20(19)15-6-8-16(22)9-7-15/h6-13H,4-5H2,1-3H3,(H,23,26)
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| InChIKey |
NNEBKUPDLLVTBN-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