General Information of the Compound
| Compound ID |
CP0543460
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| Compound Name |
(1S,2S,3S,5R,6S)-2-amino-3-[(3-chloro-4-fluorophenyl)methyl]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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| Structure |
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| Formula |
C15H15ClFNO4
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| Molecular Weight |
327.739
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| Canonical SMILES |
N[C@@]1([C@H]2[C@@H](C[C@H]1Cc1ccc(F)c(Cl)c1)[C@@H]2C(O)=O)C(O)=O
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| InChI |
InChI=1S/C15H15ClFNO4/c16-9-4-6(1-2-10(9)17)3-7-5-8-11(13(19)20)12(8)15(7,18)14(21)22/h1-2,4,7-8,11-12H,3,5,18H2,(H,19,20)(H,21,22)/t7-,8+,11+,12+,15+/m1/s1
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| InChIKey |
JYWMNSYAIWOJGC-NAYXSZQVSA-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