General Information of the Compound
| Compound ID |
CP0392695
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| Compound Name |
3-(2,6-Dichloro-phenyl)-5-[2-(2,2-dimethyl-5-oxo-pyrrolidin-1-yl)-ethyl]-isoxazole-4-carboxylic acid (4-diethylamino-phenyl)-amide
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| Structure |
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| Formula |
C28H32Cl2N4O3
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| Molecular Weight |
543.495
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| Canonical SMILES |
CCN(CC)c1ccc(NC(=O)c2c(CCN3C(=O)CCC3(C)C)onc2-c2c(Cl)cccc2Cl)cc1
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| InChI |
InChI=1S/C28H32Cl2N4O3/c1-5-33(6-2)19-12-10-18(11-13-19)31-27(36)25-22(15-17-34-23(35)14-16-28(34,3)4)37-32-26(25)24-20(29)8-7-9-21(24)30/h7-13H,5-6,14-17H2,1-4H3,(H,31,36)
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| InChIKey |
QHWZPSYBBMHEDU-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