General Information of the Compound
| Compound ID |
CP0370122
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| Compound Name |
3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid {2-[(benzo[1,3]dioxol-5-ylmethyl)-carbamoyl]-phenyl}-amide
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| Structure |
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| Formula |
C26H19Cl2N3O5
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| Molecular Weight |
524.36
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| Canonical SMILES |
Cc1onc(c1C(=O)Nc1ccccc1C(=O)NCc1ccc2OCOc2c1)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C26H19Cl2N3O5/c1-14-22(24(31-36-14)23-17(27)6-4-7-18(23)28)26(33)30-19-8-3-2-5-16(19)25(32)29-12-15-9-10-20-21(11-15)35-13-34-20/h2-11H,12-13H2,1H3,(H,29,32)(H,30,33)
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| InChIKey |
INOXYKYUGVSEAJ-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