General Information of the Compound
| Compound ID |
CP0150683
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methyl-6H-pyrrolo[3,4-d]pyridazine-5-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20ClFN4O3
|
||||||||||||||||||
| Molecular Weight |
454.889
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1[nH]c(C)c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20ClFN4O3/c1-3-31-23(30)21-20-17(13(2)27-21)11-26-29-22(20)28-16-7-8-19(18(24)10-16)32-12-14-5-4-6-15(25)9-14/h4-11,27H,3,12H2,1-2H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NURBYSCFSBBMLZ-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