General Information of the Compound
| Compound ID |
CP0087609
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| Compound Name |
1-(4-Carboxymethyl-7-nitro-2,3-dioxo-1,2,3,4-tetrahydro-quinoxalin-6-yl)-1H-pyrrole-3-carboxylic acid
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| Structure |
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| Formula |
C15H10N4O8
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| Molecular Weight |
374.265
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| Canonical SMILES |
OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(c1)C(O)=O
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| InChI |
InChI=1S/C15H10N4O8/c20-12(21)6-18-9-4-10(17-2-1-7(5-17)15(24)25)11(19(26)27)3-8(9)16-13(22)14(18)23/h1-5H,6H2,(H,16,22)(H,20,21)(H,24,25)
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| InChIKey |
MLIKVWYGUKDINC-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: PT01518, Glutamate receptor ionotropic, kainate 1
Protein ID: PT02754, Glutamate receptor ionotropic, kainate 2
Protein ID: PT04971, Glutamate receptor ionotropic, kainate 3