General Information of the Compound
| Compound ID |
CP0386253
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| Compound Name |
(1R,2R,3S,4S,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]-4-(1H-imidazol-2-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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| Structure |
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| Formula |
C18H17Cl2N3O5S
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| Molecular Weight |
458.323
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| Canonical SMILES |
N[C@@]1([C@H]2[C@H]([C@@H]2C(O)=O)[C@H](Sc2ncc[nH]2)[C@H]1OCc1ccc(Cl)c(Cl)c1)C(O)=O
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| InChI |
InChI=1S/C18H17Cl2N3O5S/c19-8-2-1-7(5-9(8)20)6-28-14-13(29-17-22-3-4-23-17)10-11(15(24)25)12(10)18(14,21)16(26)27/h1-5,10-14H,6,21H2,(H,22,23)(H,24,25)(H,26,27)/t10-,11-,12-,13-,14+,18+/m0/s1
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| InChIKey |
AAQAEWBPCIXLCR-WCPNNMOOSA-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