General Information of the Compound
| Compound ID |
CP0376769
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| Compound Name |
(2S)-2-amino-3-(2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl)propanoic acid
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| Structure |
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| Formula |
C13H15N3O4S
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| Molecular Weight |
309.347
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| Canonical SMILES |
N[C@@H](Cn1c2sc3CCCCc3c2c(=O)[nH]c1=O)C(O)=O
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| InChI |
InChI=1S/C13H15N3O4S/c14-7(12(18)19)5-16-11-9(10(17)15-13(16)20)6-3-1-2-4-8(6)21-11/h7H,1-5,14H2,(H,18,19)(H,15,17,20)/t7-/m0/s1
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| InChIKey |
XUGDTWLLDWSJQZ-ZETCQYMHSA-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: PT01414, Glutamate receptor 2
Protein ID: PT02200, Glutamate receptor ionotropic, kainate 1
Protein ID: PT02970, Glutamate receptor ionotropic, kainate 3