General Information of the Compound
| Compound ID |
CP0493034
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| Compound Name |
(S)-2-Amino-4-[4,4-diphenyl-but-(Z)-ylidene]-pentanedioic acid
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| Structure |
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| Formula |
C21H23NO4
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| Molecular Weight |
353.418
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| Canonical SMILES |
N[C@@H](C\C(=C\CCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C21H23NO4/c22-19(21(25)26)14-17(20(23)24)12-7-13-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-12,18-19H,7,13-14,22H2,(H,23,24)(H,25,26)/b17-12-/t19-/m0/s1
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| InChIKey |
OQHKCNWWRJOZCR-GTVARFKMSA-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