General Information of the Compound
| Compound ID |
CP0636119
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(6-chloro-2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(2-methoxybenzyl)pyridin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H15ClF2N2O3
|
||||||||||||||||||
| Molecular Weight |
404.8
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H15ClF2N2O3/c1-26-16-5-3-2-4-13(16)11-25-19-7-6-12(10-24-19)14-8-17-18(9-15(14)21)28-20(22,23)27-17/h2-10H,11H2,1H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ATJZJFNKLXGVLI-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