General Information of the Compound
| Compound ID |
CP0397255
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| Compound Name |
2-[6-nitro-2,3-dioxo-7-[3-[[4-(2-phenylethyl)piperazin-1-yl]methyl]pyrrol-1-yl]-4H-quinoxalin-1-yl]acetic acid
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| Structure |
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| Formula |
C27H28N6O6
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| Molecular Weight |
532.557
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| Canonical SMILES |
OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCN(CCc3ccccc3)CC2)c1
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| InChI |
InChI=1S/C27H28N6O6/c34-25(35)18-32-22-15-23(24(33(38)39)14-21(22)28-26(36)27(32)37)31-9-7-20(17-31)16-30-12-10-29(11-13-30)8-6-19-4-2-1-3-5-19/h1-5,7,9,14-15,17H,6,8,10-13,16,18H2,(H,28,36)(H,34,35)
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| InChIKey |
RIJIYYKFIMDTMK-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