General Information of the Compound
| Compound ID |
CP0398226
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| Compound Name |
3-(7-{3-[(Benzyl-methyl-amino)-methyl]-pyrrol-1-yl}-6-nitro-2,3-dioxo-3,4-dihydro-2H-quinoxalin-1-yl)-propionic 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 |
CN(Cc1ccn(c1)-c1cc2n(CCC(O)=O)c(=O)c(=O)[nH]c2cc1[N+]([O-])=O)Cc1ccccc1
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| InChI |
InChI=1S/C24H23N5O6/c1-26(13-16-5-3-2-4-6-16)14-17-7-9-27(15-17)20-12-19-18(11-21(20)29(34)35)25-23(32)24(33)28(19)10-8-22(30)31/h2-7,9,11-12,15H,8,10,13-14H2,1H3,(H,25,32)(H,30,31)
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| InChIKey |
IQVBCMPEVJHLKH-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: PT03594, Glutamate receptor ionotropic, kainate 5