General Information of the Compound
| Compound ID |
CP0496870
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| Compound Name |
5-(2-Benzo[1,3]dioxol-4-yl-ethyl)-3-(2,6-dichloro-phenyl)-isoxazole-4-carboxylic acid (4-diethylamino-phenyl)-amide
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| Structure |
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| Formula |
C29H27Cl2N3O4
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| Molecular Weight |
552.458
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| Canonical SMILES |
CCN(CC)c1ccc(NC(=O)c2c(CCc3cccc4OCOc34)onc2-c2c(Cl)cccc2Cl)cc1
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| InChI |
InChI=1S/C29H27Cl2N3O4/c1-3-34(4-2)20-14-12-19(13-15-20)32-29(35)26-23(16-11-18-7-5-10-24-28(18)37-17-36-24)38-33-27(26)25-21(30)8-6-9-22(25)31/h5-10,12-15H,3-4,11,16-17H2,1-2H3,(H,32,35)
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| InChIKey |
IFCBTAYPSFBVIF-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