General Information of the Compound
| Compound ID |
CP0398062
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| Compound Name |
(2S)-2-amino-3-[2-(2-carboxyethyl)-4-(phenylcarbamoylamino)phenyl]propanoic acid
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| Structure |
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| Formula |
C19H21N3O5
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| Molecular Weight |
371.393
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| Canonical SMILES |
N[C@@H](Cc1ccc(NC(=O)Nc2ccccc2)cc1CCC(O)=O)C(O)=O
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| InChI |
InChI=1S/C19H21N3O5/c20-16(18(25)26)11-13-6-8-15(10-12(13)7-9-17(23)24)22-19(27)21-14-4-2-1-3-5-14/h1-6,8,10,16H,7,9,11,20H2,(H,23,24)(H,25,26)(H2,21,22,27)/t16-/m0/s1
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| InChIKey |
XFFVAGOUFAZPGQ-INIZCTEOSA-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: PT02200, Glutamate receptor ionotropic, kainate 1
Protein ID: PT02970, Glutamate receptor ionotropic, kainate 3