General Information of the Compound
| Compound ID |
CP0507755
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| Compound Name |
3-(2-methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
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| Structure |
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| Formula |
C20H16N2O3
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| Molecular Weight |
332.359
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| Canonical SMILES |
COc1ccccc1-c1noc2cc(-c3ccccc3)n(C)c(=O)c12
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| InChI |
InChI=1S/C20H16N2O3/c1-22-15(13-8-4-3-5-9-13)12-17-18(20(22)23)19(21-25-17)14-10-6-7-11-16(14)24-2/h3-12H,1-2H3
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| InChIKey |
TXQAGCNICLXMCM-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