General Information of the Compound
| Compound ID |
CP0111597
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| Compound Name |
3-(2-Methoxy-phenyl)-5-methyl-isoxazole-4-carboxylic acid (4-diethylamino-phenyl)-amide
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| Structure |
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| Formula |
C22H25N3O3
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| Molecular Weight |
379.46
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| Canonical SMILES |
CCN(CC)c1ccc(NC(=O)c2c(C)onc2-c2ccccc2OC)cc1
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| InChI |
InChI=1S/C22H25N3O3/c1-5-25(6-2)17-13-11-16(12-14-17)23-22(26)20-15(3)28-24-21(20)18-9-7-8-10-19(18)27-4/h7-14H,5-6H2,1-4H3,(H,23,26)
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| InChIKey |
HMSGJJOQOSKYFD-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