General Information of the Compound
| Compound ID |
CP0210320
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H24FN7O
|
||||||||||||||||||
| Molecular Weight |
469.524
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(OCCN2CCCC2)ccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H24FN7O/c27-22-14-17(35-13-12-34-10-1-2-11-34)6-7-23(22)31-26-19-8-9-28-15-21(19)18-4-3-5-20(24(18)32-26)25-29-16-30-33-25/h3-9,14-16H,1-2,10-13H2,(H,31,32)(H,29,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WFKZLRQOFSFNJO-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: PT01301, Bcl2-associated agonist of cell death
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000207 | MIA PaCa-2 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 530 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|