General Information of the Compound
| Compound ID |
CP0464011
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| Compound Name |
6-(benzo[d][1,3]dioxol-5-yl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
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| Structure |
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| Formula |
C20H14N2O4
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| Molecular Weight |
346.342
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| Canonical SMILES |
Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C20H14N2O4/c1-22-14(13-7-8-15-16(9-13)25-11-24-15)10-17-18(20(22)23)19(21-26-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3
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| InChIKey |
OVMZTCWKQUHSEH-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
Protein ID: PT03457, Metabotropic glutamate receptor 7
Protein ID: PT05155, Nuclear receptor subfamily 4 group A member 2