General Information of the Compound
| Compound ID |
CP0195438
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| Compound Name |
3-(2,6-dichlorophenyl)-5-isopropyl-4-((4-methylquinolin-2-yloxy)methyl)isoxazole
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| Structure |
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| Formula |
C23H20Cl2N2O2
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| Molecular Weight |
427.331
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| Canonical SMILES |
CC(C)c1onc(c1COc1cc(C)c2ccccc2n1)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C23H20Cl2N2O2/c1-13(2)23-16(22(27-29-23)21-17(24)8-6-9-18(21)25)12-28-20-11-14(3)15-7-4-5-10-19(15)26-20/h4-11,13H,12H2,1-3H3
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| InChIKey |
CLSDNTMQFXWGPW-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