General Information of the Compound
| Compound ID |
CP0549618
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]methyl]-1-(3,5-difluorophenyl)methanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15Cl2F2N3
|
||||||||||||||||||
| Molecular Weight |
382.241
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(c(Cl)c1CNCc1cc(F)cc(F)c1)-c1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15Cl2F2N3/c1-11-15(10-23-9-12-6-13(21)8-14(22)7-12)18(20)25(24-11)17-5-3-2-4-16(17)19/h2-8,23H,9-10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VEZRZVARKZVJQE-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