General Information of the Compound
| Compound ID |
CP0525785
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-methyl-4-[[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H22N4OS
|
||||||||||||||||||
| Molecular Weight |
342.468
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1csc(n1)-c1ccccc1)Cc1cn(CCO)nc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22N4OS/c1-14-16(11-22(20-14)8-9-23)10-21(2)12-17-13-24-18(19-17)15-6-4-3-5-7-15/h3-7,11,13,23H,8-10,12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YOOUCGLWTXTEGZ-UHFFFAOYSA-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: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1