General Information of the Compound
| Compound ID |
CP0415039
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N3-(3-Chloro-4- fluorophenyl)- 7-(3,5- dimethyl- phenyl)furo [2,3-c] pyridine-2,3- diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17ClFN3O
|
||||||||||||||||||
| Molecular Weight |
381.838
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)cc(c1)-c1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17ClFN3O/c1-11-7-12(2)9-13(8-11)18-20-15(5-6-25-18)19(21(24)27-20)26-14-3-4-17(23)16(22)10-14/h3-10,26H,24H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VXXMQJQWWRTMBS-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