General Information of the Compound
| Compound ID |
CP0250114
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| Compound Name |
3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid [2-(piperidine-1-carbonyl)-phenyl]-amide
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| Structure |
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| Formula |
C23H21Cl2N3O3
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| Molecular Weight |
458.345
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| Canonical SMILES |
Cc1onc(c1C(=O)Nc1ccccc1C(=O)N1CCCCC1)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C23H21Cl2N3O3/c1-14-19(21(27-31-14)20-16(24)9-7-10-17(20)25)22(29)26-18-11-4-3-8-15(18)23(30)28-12-5-2-6-13-28/h3-4,7-11H,2,5-6,12-13H2,1H3,(H,26,29)
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| InChIKey |
IDHHZMGUOIBISX-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