General Information of the Compound
| Compound ID |
CP0211752
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| Compound Name |
(1R,2R,3R,5R,6R)-2-Amino-3-(3,4-dichloro-benzyloxy)-6-fluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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| Synonyms |
(1R, 2R, 3R, 5R,
(1R,2R,3R,5R,6R)-2-Amino-3-(3,4-dichlorobenzyloxy)-6-fluorobicyclo[310]hexane-2,6-dicarboxylic acid
(1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]-6-fluorobicyclo[310]hexane-2,6-dicarboxylic acid
(1r,2r,3r,5r,6r)-2-amino-3-(3,4-dichlorobenzyloxy)6-fluorobicyclo[310] hexane-2,6-dicarboxylic acid
569686-87-9
BCI-632
BDBM50151435
CHEMBL186453
DTXSID40432407
GTPL1397
LFAGGDAZZKUVKO-JAGWWQSPSA-N
MGS 0039
MGS-0039
MGS0039
SCHEMBL234576
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| Structure |
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| Formula |
C15H14Cl2FNO5
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| Molecular Weight |
378.183
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| Canonical SMILES |
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C15H14Cl2FNO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)/t7-,10-,11+,14-,15+/m1/s1
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| InChIKey |
LFAGGDAZZKUVKO-JAGWWQSPSA-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: PT02444, Metabotropic glutamate receptor 1
Protein ID: PT01491, Metabotropic glutamate receptor 2
Protein ID: PT03263, Metabotropic glutamate receptor 3
Protein ID: PT02446, Metabotropic glutamate receptor 4
Protein ID: PT01247, Metabotropic glutamate receptor 5
Protein ID: PT02445, Metabotropic glutamate receptor 6
Protein ID: PT03457, Metabotropic glutamate receptor 7
Clinical Information about the Compound