General Information of the Compound
| Compound ID |
CP0445993
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2R,3S,4S,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18Cl2N4O5S
|
||||||||||||||||||
| Molecular Weight |
473.338
|
||||||||||||||||||
| Canonical SMILES |
Cn1ncnc1S[C@H]1[C@H]2[C@@H]([C@H]2[C@@](N)([C@@H]1OCc1ccc(Cl)c(Cl)c1)C(O)=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18Cl2N4O5S/c1-24-17(22-6-23-24)30-13-10-11(15(25)26)12(10)18(21,16(27)28)14(13)29-5-7-2-3-8(19)9(20)4-7/h2-4,6,10-14H,5,21H2,1H3,(H,25,26)(H,27,28)/t10-,11-,12-,13-,14+,18+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PSQSAQVJYBYDHR-WCPNNMOOSA-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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