General Information of the Compound
| Compound ID |
CP0517184
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| Compound Name |
(1S,2R,3R,4S,5R,6S)-4-acetamido-2-amino-3-[(4-fluoro-3-methylphenyl)sulfanylmethyl]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride
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| Formula |
C18H22ClFN2O5S
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| Molecular Weight |
432.901
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| Canonical SMILES |
Cl.CC(=O)N[C@H]1[C@H]2[C@@H]([C@H]2[C@@](N)([C@@H]1CSc1ccc(F)c(C)c1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C18H21FN2O5S.ClH/c1-7-5-9(3-4-11(7)19)27-6-10-15(21-8(2)22)12-13(16(23)24)14(12)18(10,20)17(25)26;/h3-5,10,12-15H,6,20H2,1-2H3,(H,21,22)(H,23,24)(H,25,26);1H/t10-,12+,13+,14+,15-,18+;/m1./s1
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| InChIKey |
DSMGWHZJRKUSME-JUFVRUDHSA-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