General Information of the Compound
| Compound ID |
CP0137017
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| Compound Name |
6-[2-(4-fluorophenyl)ethyl]-1,2-dihydropyridazine-3,4-dione
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| Structure |
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| Formula |
C12H11FN2O2
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| Molecular Weight |
234.23
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| Canonical SMILES |
Oc1cc(CCc2ccc(F)cc2)n[nH]c1=O
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| InChI |
InChI=1S/C12H11FN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)12(17)15-14-10/h1-2,4-5,7H,3,6H2,(H,14,16)(H,15,17)
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| InChIKey |
VXMITFXRZIEUCJ-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: PT03113, D-amino-acid oxidase
Protein ID: PT06971, D-amino-acid oxidase
Protein ID: PT02547, D-amino-acid oxidase