General Information of the Compound
| Compound ID |
CP0386261
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| Compound Name |
(1S,2R,3R,4S,5R,6S)-4-acetamido-2-amino-3-[(3,4-dichlorophenyl)methoxy]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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| Structure |
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| Formula |
C17H18Cl2N2O6
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| Molecular Weight |
417.245
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| Canonical SMILES |
CC(=O)N[C@H]1[C@H]2[C@@H]([C@H]2[C@@](N)([C@@H]1OCc1ccc(Cl)c(Cl)c1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C17H18Cl2N2O6/c1-6(22)21-13-10-11(15(23)24)12(10)17(20,16(25)26)14(13)27-5-7-2-3-8(18)9(19)4-7/h2-4,10-14H,5,20H2,1H3,(H,21,22)(H,23,24)(H,25,26)/t10-,11-,12-,13-,14+,17+/m0/s1
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| InChIKey |
ACVCREFNDLDKHC-SGPHYXEKSA-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: PT01748, Metabotropic glutamate receptor 2
Protein ID: PT01312, Metabotropic glutamate receptor 3