General Information of the Compound
| Compound ID |
CP0111162
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[3-[2-[2-[4-[2-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)ethyl]-3-methylphenoxy]ethoxy]ethoxy]-1,1-difluoropropyl]phosphonic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H34F2N3O6P
|
||||||||||||||||||
| Molecular Weight |
589.576
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(OCCOCCOCCC(F)(F)P(O)(O)=O)cc3C)cc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34F2N3O6P/c1-19-3-8-24-25-17-21(18-33-27(25)28(32)34-26(24)15-19)4-5-22-6-7-23(16-20(22)2)40-14-13-39-12-11-38-10-9-29(30,31)41(35,36)37/h3,6-8,15-18H,4-5,9-14H2,1-2H3,(H2,32,34)(H2,35,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BKWUSNSMJRGORT-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