General Information of the Compound
| Compound ID |
CP0411065
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2R)-N-[4-[6-(fluoromethyl)pyridin-2-yl]-3-(2-methylindazol-5-yl)-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20FN5OS
|
||||||||||||||||||
| Molecular Weight |
421.501
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1C[C@H]1C(=O)Nc1snc(c1-c1cccc(CF)n1)-c1ccc2nn(C)cc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20FN5OS/c1-12-8-16(12)21(29)25-22-19(18-5-3-4-15(10-23)24-18)20(27-30-22)13-6-7-17-14(9-13)11-28(2)26-17/h3-7,9,11-12,16H,8,10H2,1-2H3,(H,25,29)/t12-,16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ICULXPWJMNHYSC-MLGOLLRUSA-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: PT01994, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5