General Information of the Compound
| Compound ID |
CP0395220
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| Compound Name |
2-[6-nitro-2,3-dioxo-7-[3-(piperidin-1-ylmethyl)pyrrol-1-yl]-4H-quinoxalin-1-yl]acetic acid
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| Structure |
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| Formula |
C20H21N5O6
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| Molecular Weight |
427.417
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| Canonical SMILES |
OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCCCC2)c1
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| InChI |
InChI=1S/C20H21N5O6/c26-18(27)12-24-15-9-16(17(25(30)31)8-14(15)21-19(28)20(24)29)23-7-4-13(11-23)10-22-5-2-1-3-6-22/h4,7-9,11H,1-3,5-6,10,12H2,(H,21,28)(H,26,27)
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| InChIKey |
COZQTFPEKGKCBV-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
Protein ID: PT03594, Glutamate receptor ionotropic, kainate 5