General Information of the Compound
| Compound ID |
CP0546642
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| Compound Name |
5-[2-[3-fluoro-4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]ethyl]-1,4-dihydropyrazine-2,3-dione
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| Formula |
C15H13FN4O3
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| Molecular Weight |
316.292
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| Canonical SMILES |
Oc1cc([nH]n1)-c1ccc(CCc2c[nH]c(=O)c(=O)[nH]2)cc1F
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| InChI |
InChI=1S/C15H13FN4O3/c16-11-5-8(1-3-9-7-17-14(22)15(23)18-9)2-4-10(11)12-6-13(21)20-19-12/h2,4-7H,1,3H2,(H,17,22)(H,18,23)(H2,19,20,21)
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| InChIKey |
QELVHZRUTQGPGD-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: PT02547, D-amino-acid oxidase