General Information of the Compound
| Compound ID |
CP0517181
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| Compound Name |
(1S,2R,3S,4S,5R,6R)-2-amino-3-[(3-fluorophenyl)sulfanylmethyl]-4-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride
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| Formula |
C15H17ClFNO5S
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| Molecular Weight |
377.821
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| Canonical SMILES |
Cl.N[C@@]1([C@H]2[C@H]([C@@H]2C(O)=O)[C@H](O)[C@H]1CSc1cccc(F)c1)C(O)=O
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| InChI |
InChI=1S/C15H16FNO5S.ClH/c16-6-2-1-3-7(4-6)23-5-8-12(18)9-10(13(19)20)11(9)15(8,17)14(21)22;/h1-4,8-12,18H,5,17H2,(H,19,20)(H,21,22);1H/t8-,9+,10+,11+,12-,15+;/m1./s1
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| InChIKey |
WGXCLNPOFOSSTJ-NHDMYCFKSA-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