General Information of the Compound
| Compound ID |
CP0497542
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-chloro-4-iodophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H12ClIN2
|
||||||||||||||||||
| Molecular Weight |
334.588
|
||||||||||||||||||
| Canonical SMILES |
CC1CCC(N1)=Nc1ccc(I)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H12ClIN2/c1-7-2-5-11(14-7)15-10-4-3-8(13)6-9(10)12/h3-4,6-7H,2,5H2,1H3,(H,14,15)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KLIBTBNNCGHLPY-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: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT02026, Alpha-2B adrenergic receptor
Protein ID: PT01598, Alpha-2C adrenergic receptor
Protein ID: PT02100, Nischarin