General Information of the Compound
| Compound ID |
CP0333137
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| Compound Name |
3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid (2-diethylcarbamoyl-phenyl)-amide
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| Structure |
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| Formula |
C22H21Cl2N3O3
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| Molecular Weight |
446.334
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| Canonical SMILES |
CCN(CC)C(=O)c1ccccc1NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C22H21Cl2N3O3/c1-4-27(5-2)22(29)14-9-6-7-12-17(14)25-21(28)18-13(3)30-26-20(18)19-15(23)10-8-11-16(19)24/h6-12H,4-5H2,1-3H3,(H,25,28)
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| InChIKey |
DWCNFYBJDZAVBS-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