General Information of the Compound
| Compound ID |
CP0517185
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| Compound Name |
(1S,2R,3S,4S,5R,6R)-2-amino-4-hydroxy-3-(propan-2-ylsulfanylmethyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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| Formula |
C12H19NO5S
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| Molecular Weight |
289.353
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| Canonical SMILES |
CC(C)SC[C@@H]1[C@@H](O)[C@H]2[C@@H]([C@H]2[C@]1(N)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C12H19NO5S/c1-4(2)19-3-5-9(14)6-7(10(15)16)8(6)12(5,13)11(17)18/h4-9,14H,3,13H2,1-2H3,(H,15,16)(H,17,18)/t5-,6+,7+,8+,9-,12+/m1/s1
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| InChIKey |
DSQKRTLZZWIIIR-NZHJENJMSA-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