General Information of the Compound
| Compound ID |
CP0864302
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2R)-N-(3-(2H-indazol-5-yl)-4-(6-isopropylpyridin-2-yl)isothiazol-5-yl)-2-methylcyclopropanecarboxamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24ClN5OS
|
||||||||||||||||||
| Molecular Weight |
453.999
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cccc(-c2c(-c3ccc4n[nH]cc4c3)nsc2NC(=O)[C@@H]2C[C@H]2C)n1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23N5OS.ClH/c1-12(2)17-5-4-6-19(25-17)20-21(14-7-8-18-15(10-14)11-24-27-18)28-30-23(20)26-22(29)16-9-13(16)3;/h4-8,10-13,16H,9H2,1-3H3,(H,24,27)(H,26,29);1H/t13-,16-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XHZNXPLHHYKADY-OALZAMAHSA-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