General Information of the Compound
| Compound ID |
CP0032295
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[8-(6-methoxypyridin-3-yl)-2-oxo-[1]benzofuro[3,2-b]pyridin-1-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H29N5O4
|
||||||||||||||||||
| Molecular Weight |
523.593
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cn1)-c1ccc2oc3ccc(=O)n(-c4ccc(NC(=O)CN5CCN(C)CC5)cc4)c3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H29N5O4/c1-33-13-15-34(16-14-33)19-27(36)32-22-5-7-23(8-6-22)35-29(37)12-10-26-30(35)24-17-20(3-9-25(24)39-26)21-4-11-28(38-2)31-18-21/h3-12,17-18H,13-16,19H2,1-2H3,(H,32,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OMPBTNPIOUMRRU-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: PT01308, Tyrosine-protein kinase BTK
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000174 | Raji | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 9720 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|