General Information of the Compound
| Compound ID |
CP0496868
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| Compound Name |
3-(2,6-Dichloro-phenyl)-5-(2-[1,3]dioxolan-2-yl-ethyl)-isoxazole-4-carboxylic acid (4-diethylamino-phenyl)-amide
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| Structure |
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| Formula |
C25H27Cl2N3O4
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| Molecular Weight |
504.414
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| Canonical SMILES |
CCN(CC)c1ccc(NC(=O)c2c(CCC3OCCO3)onc2-c2c(Cl)cccc2Cl)cc1
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| InChI |
InChI=1S/C25H27Cl2N3O4/c1-3-30(4-2)17-10-8-16(9-11-17)28-25(31)23-20(12-13-21-32-14-15-33-21)34-29-24(23)22-18(26)6-5-7-19(22)27/h5-11,21H,3-4,12-15H2,1-2H3,(H,28,31)
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| InChIKey |
GTVREPKLJZRLEU-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