General Information of the Compound
| Compound ID |
CP0555782
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2R,3S,4S,5R,6R)-2-amino-4-hydroxy-3-(phenylsulfanylmethyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride
Show/Hide
|
||||||||||||||||||
| Formula |
C15H18ClNO5S
|
||||||||||||||||||
| Molecular Weight |
359.831
|
||||||||||||||||||
| Canonical SMILES |
Cl.N[C@@]1([C@H]2[C@H]([C@@H]2C(O)=O)[C@H](O)[C@H]1CSc1ccccc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H17NO5S.ClH/c16-15(14(20)21)8(6-22-7-4-2-1-3-5-7)12(17)9-10(11(9)15)13(18)19;/h1-5,8-12,17H,6,16H2,(H,18,19)(H,20,21);1H/t8-,9+,10+,11+,12-,15+;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LNXVTBIUHMGHCE-NHDMYCFKSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01748, Metabotropic glutamate receptor 2
Protein ID: PT01312, Metabotropic glutamate receptor 3