General Information of the Compound
| Compound ID |
CP0040929
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| Compound Name |
3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid (2-benzylcarbamoyl-phenyl)-amide
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| Structure |
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| Formula |
C25H19Cl2N3O3
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| Molecular Weight |
480.351
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| Canonical SMILES |
Cc1onc(c1C(=O)Nc1ccccc1C(=O)NCc1ccccc1)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C25H19Cl2N3O3/c1-15-21(23(30-33-15)22-18(26)11-7-12-19(22)27)25(32)29-20-13-6-5-10-17(20)24(31)28-14-16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,28,31)(H,29,32)
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| InChIKey |
UTPKSPZCLBYZIP-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