General Information of the Compound
| Compound ID |
CP0429234
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| Compound Name |
2-Amino-4-hex-2-ynyl-pentanedioic acid
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| Structure |
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| Formula |
C11H17NO4
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| Molecular Weight |
227.26
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| Canonical SMILES |
CCCC#CC[C@H](C[C@H](N)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C11H17NO4/c1-2-3-4-5-6-8(10(13)14)7-9(12)11(15)16/h8-9H,2-3,6-7,12H2,1H3,(H,13,14)(H,15,16)/t8-,9+/m1/s1
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| InChIKey |
VPNSABLBNUHHRR-BDAKNGLRSA-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