General Information of the Compound
| Compound ID |
CP0537744
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| Compound Name |
(1S,2R,3S,4S,5R,6R)-2-amino-3-[(4-fluoro-3-methylphenyl)sulfanylmethyl]-4-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride
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| Structure |
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| Formula |
C16H19ClFNO5S
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| Molecular Weight |
391.848
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| Canonical SMILES |
Cl.Cc1cc(SC[C@@H]2[C@@H](O)[C@H]3[C@@H]([C@H]3[C@]2(N)C(O)=O)C(O)=O)ccc1F
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| InChI |
InChI=1S/C16H18FNO5S.ClH/c1-6-4-7(2-3-9(6)17)24-5-8-13(19)10-11(14(20)21)12(10)16(8,18)15(22)23;/h2-4,8,10-13,19H,5,18H2,1H3,(H,20,21)(H,22,23);1H/t8-,10+,11+,12+,13-,16+;/m1./s1
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| InChIKey |
JTKJTEJHFQQLKS-HSACNDHRSA-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