General Information of the Compound
| Compound ID |
CP0451571
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| Compound Name |
2-[7-[3-[(4-benzylpiperazin-1-yl)methyl]pyrrol-1-yl]-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]acetic acid
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| Structure |
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| Formula |
C26H26N6O6
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| Molecular Weight |
518.53
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| Canonical SMILES |
OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCN(Cc3ccccc3)CC2)c1
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| InChI |
InChI=1S/C26H26N6O6/c33-24(34)17-31-21-13-22(23(32(37)38)12-20(21)27-25(35)26(31)36)30-7-6-19(16-30)15-29-10-8-28(9-11-29)14-18-4-2-1-3-5-18/h1-7,12-13,16H,8-11,14-15,17H2,(H,27,35)(H,33,34)
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| InChIKey |
UWBHJOVXAJRYJM-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