General Information of the Compound
| Compound ID |
CP0186475
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| Compound Name |
6-[2-(4-methoxyphenyl)ethyl]-1,2-dihydropyridazine-3,4-dione
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| Structure |
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| Formula |
C13H14N2O3
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| Molecular Weight |
246.266
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| Canonical SMILES |
COc1ccc(CCc2cc(O)c(=O)[nH]n2)cc1
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| InChI |
InChI=1S/C13H14N2O3/c1-18-11-6-3-9(4-7-11)2-5-10-8-12(16)13(17)15-14-10/h3-4,6-8H,2,5H2,1H3,(H,14,16)(H,15,17)
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| InChIKey |
YDXOZGMGXDPRQB-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: PT06971, D-amino-acid oxidase
Protein ID: PT03113, D-amino-acid oxidase
Protein ID: PT02547, D-amino-acid oxidase