General Information of the Compound
| Compound ID |
CP0496896
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| Compound Name |
3-(2,6-Dichloro-phenyl)-5-[2-(tetrahydro-pyran-2-yl)-ethyl]-isoxazole-4-carboxylic acid (4-diethylamino-phenyl)-amide
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| Structure |
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| Formula |
C27H31Cl2N3O3
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| Molecular Weight |
516.469
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| Canonical SMILES |
CCN(CC)c1ccc(NC(=O)c2c(CCC3CCCCO3)onc2-c2c(Cl)cccc2Cl)cc1
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| InChI |
InChI=1S/C27H31Cl2N3O3/c1-3-32(4-2)19-13-11-18(12-14-19)30-27(33)25-23(16-15-20-8-5-6-17-34-20)35-31-26(25)24-21(28)9-7-10-22(24)29/h7,9-14,20H,3-6,8,15-17H2,1-2H3,(H,30,33)
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| InChIKey |
IKTDZNQHNMEBQM-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