General Information of the Compound
| Compound ID |
CP0394702
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| Compound Name |
3-(2,6-Dichloro-phenyl)-5-[2-(2-methoxy-phenyl)-ethyl]-isoxazole-4-carboxylic acid (4-diethylamino-phenyl)-amide
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| Structure |
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| Formula |
C29H29Cl2N3O3
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| Molecular Weight |
538.475
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| Canonical SMILES |
CCN(CC)c1ccc(NC(=O)c2c(CCc3ccccc3OC)onc2-c2c(Cl)cccc2Cl)cc1
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| InChI |
InChI=1S/C29H29Cl2N3O3/c1-4-34(5-2)21-16-14-20(15-17-21)32-29(35)27-25(18-13-19-9-6-7-12-24(19)36-3)37-33-28(27)26-22(30)10-8-11-23(26)31/h6-12,14-17H,4-5,13,18H2,1-3H3,(H,32,35)
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| InChIKey |
RBBWIQSVRIEEHC-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