General Information of the Compound
| Compound ID |
CP0517183
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| Compound Name |
(1S,2R,3S,4S,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methylsulfanylmethyl]-4-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride
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| Formula |
C16H18Cl3NO5S
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| Molecular Weight |
442.748
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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]1CSCc1ccc(Cl)c(Cl)c1)C(O)=O
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| InChI |
InChI=1S/C16H17Cl2NO5S.ClH/c17-8-2-1-6(3-9(8)18)4-25-5-7-13(20)10-11(14(21)22)12(10)16(7,19)15(23)24;/h1-3,7,10-13,20H,4-5,19H2,(H,21,22)(H,23,24);1H/t7-,10+,11+,12+,13-,16+;/m1./s1
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| InChIKey |
TUGMJIARNOPFMQ-UMLKCODCSA-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