General Information of the Compound
| Compound ID |
CP0370138
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| Compound Name |
3-(2,6-Dichloro-phenyl)-5-(2-[1,3]dioxan-2-yl-ethyl)-isoxazole-4-carboxylic acid (4-diethylamino-2-methyl-phenyl)-amide
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| Structure |
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| Formula |
C27H31Cl2N3O4
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| Molecular Weight |
532.468
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| Canonical SMILES |
CCN(CC)c1ccc(NC(=O)c2c(CCC3OCCCO3)onc2-c2c(Cl)cccc2Cl)c(C)c1
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| InChI |
InChI=1S/C27H31Cl2N3O4/c1-4-32(5-2)18-10-11-21(17(3)16-18)30-27(33)25-22(12-13-23-34-14-7-15-35-23)36-31-26(25)24-19(28)8-6-9-20(24)29/h6,8-11,16,23H,4-5,7,12-15H2,1-3H3,(H,30,33)
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| InChIKey |
ACMBMSHNTWGGSL-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