General Information of the Compound
| Compound ID |
CP0633676
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(6-chloro-2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(3-fluorobenzyl)pyridin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H12ClF3N2O2
|
||||||||||||||||||
| Molecular Weight |
392.764
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(CNc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H12ClF3N2O2/c20-15-8-17-16(26-19(22,23)27-17)7-14(15)12-4-5-18(25-10-12)24-9-11-2-1-3-13(21)6-11/h1-8,10H,9H2,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VQLUDVVLMTYQHA-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