General Information of the Compound
| Compound ID |
CP0386254
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| Compound Name |
(1S,2R,3R,4S,5R,6S)-2-amino-3-[(3,4-dichlorophenyl)methoxy]-4-(methoxycarbonylamino)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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| Structure |
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| Formula |
C17H18Cl2N2O7
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| Molecular Weight |
433.244
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| Canonical SMILES |
COC(=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/C17H18Cl2N2O7/c1-27-16(26)21-12-9-10(14(22)23)11(9)17(20,15(24)25)13(12)28-5-6-2-3-7(18)8(19)4-6/h2-4,9-13H,5,20H2,1H3,(H,21,26)(H,22,23)(H,24,25)/t9-,10-,11-,12-,13+,17+/m0/s1
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| InChIKey |
OCNVADMKXAQCFP-WNAOHANSSA-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