General Information of the Compound
| Compound ID |
CP0207002
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| Compound Name |
(7-{3-[3-(4-Nitro-phenyl)-ureidomethyl]-pyrrol-1-yl}-2,3-dioxo-6-trifluoromethyl-3,4-dihydro-2H-quinoxalin-1-yl)-acetic acid
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| Structure |
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| Formula |
C23H17F3N6O7
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| Molecular Weight |
546.418
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| Canonical SMILES |
OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)C(F)(F)F)-n1ccc(CNC(=O)Nc2ccc(cc2)[N+]([O-])=O)c1
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| InChI |
InChI=1S/C23H17F3N6O7/c24-23(25,26)15-7-16-18(31(11-19(33)34)21(36)20(35)29-16)8-17(15)30-6-5-12(10-30)9-27-22(37)28-13-1-3-14(4-2-13)32(38)39/h1-8,10H,9,11H2,(H,29,35)(H,33,34)(H2,27,28,37)
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| InChIKey |
ONWXFZVXNOZZFR-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