General Information of the Compound
| Compound ID |
CP0453155
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| Compound Name |
(6-Nitro-2,3-dioxo-7-{3-[(3-phenyl-propylamino)-methyl]-pyrrol-1-yl}-3,4-dihydro-2H-quinoxalin-1-yl)-acetic acid
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| Structure |
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| Formula |
C24H23N5O6
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| Molecular Weight |
477.477
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| Canonical SMILES |
OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CNCCCc2ccccc2)c1
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| InChI |
InChI=1S/C24H23N5O6/c30-22(31)15-28-19-12-20(21(29(34)35)11-18(19)26-23(32)24(28)33)27-10-8-17(14-27)13-25-9-4-7-16-5-2-1-3-6-16/h1-3,5-6,8,10-12,14,25H,4,7,9,13,15H2,(H,26,32)(H,30,31)
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| InChIKey |
DDKYVNAMEHPVHA-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