General Information of the Compound
| Compound ID |
CP0857085
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2R)-N-(4-(6-cyclobutylpyridin-2-yl)-3-(2-methyl-2H-indazol-5-yl)isothiazol-5-yl)-2-methylcyclopropanecarboxamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26ClN5OS
|
||||||||||||||||||
| Molecular Weight |
480.037
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3nn(C)cc3c2)c1-c1cccc(C2CCC2)n1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25N5OS.ClH/c1-14-11-18(14)24(31)27-25-22(21-8-4-7-19(26-21)15-5-3-6-15)23(29-32-25)16-9-10-20-17(12-16)13-30(2)28-20;/h4,7-10,12-15,18H,3,5-6,11H2,1-2H3,(H,27,31);1H/t14-,18-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UOWFQOOHHORUGO-KEZWHQCISA-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