General Information of the Compound
| Compound ID |
CP0418776
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| Compound Name |
(2S)-2-amino-3-[2-(2-carboxyethyl)-4-(ethylcarbamoylamino)phenyl]propanoic acid
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| Structure |
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| Formula |
C15H21N3O5
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| Molecular Weight |
323.349
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| Canonical SMILES |
CCNC(=O)Nc1ccc(C[C@H](N)C(O)=O)c(CCC(O)=O)c1
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| InChI |
InChI=1S/C15H21N3O5/c1-2-17-15(23)18-11-5-3-10(8-12(16)14(21)22)9(7-11)4-6-13(19)20/h3,5,7,12H,2,4,6,8,16H2,1H3,(H,19,20)(H,21,22)(H2,17,18,23)/t12-/m0/s1
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| InChIKey |
ZVGZATMNBHCSQO-LBPRGKRZSA-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