General Information of the Compound
| Compound ID |
CP0565872
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2R,3S,4S,5R,6R)-2-amino-3-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride
Show/Hide
|
||||||||||||||||||
| Formula |
C15H17ClFNO5S
|
||||||||||||||||||
| Molecular Weight |
377.821
|
||||||||||||||||||
| Canonical SMILES |
Cl.N[C@@]1([C@H]2[C@H]([C@@H]2C(O)=O)[C@H](O)[C@H]1CSc1ccccc1F)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H16FNO5S.ClH/c16-7-3-1-2-4-8(7)23-5-6-12(18)9-10(13(19)20)11(9)15(6,17)14(21)22;/h1-4,6,9-12,18H,5,17H2,(H,19,20)(H,21,22);1H/t6-,9+,10+,11+,12-,15+;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PZPFRXJAWNHUKT-JPWNOPPSSA-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