General Information of the Compound
| Compound ID |
CP0394703
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| Compound Name |
3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid (4-diethylamino-cyclohexyl)-amide
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| Formula |
C21H27Cl2N3O2
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| Molecular Weight |
424.372
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| Canonical SMILES |
CCN(CC)[C@H]1CC[C@@H](CC1)NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C21H27Cl2N3O2/c1-4-26(5-2)15-11-9-14(10-12-15)24-21(27)18-13(3)28-25-20(18)19-16(22)7-6-8-17(19)23/h6-8,14-15H,4-5,9-12H2,1-3H3,(H,24,27)/t14-,15-
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| InChIKey |
YHVDQBFBKGXKDA-SHTZXODSSA-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