General Information of the Compound
| Compound ID |
CP0445213
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| Compound Name |
(2S,4R)-2-amino-4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]pentanedioic acid
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| Structure |
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| Formula |
C15H19NO4S
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| Molecular Weight |
309.387
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| Canonical SMILES |
CSc1ccc(\C=C\C[C@H](C[C@H](N)C(O)=O)C(O)=O)cc1
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| InChI |
InChI=1S/C15H19NO4S/c1-21-12-7-5-10(6-8-12)3-2-4-11(14(17)18)9-13(16)15(19)20/h2-3,5-8,11,13H,4,9,16H2,1H3,(H,17,18)(H,19,20)/b3-2+/t11-,13+/m1/s1
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| InChIKey |
JYHMKKKYMSMCIK-KTTDLOKESA-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