General Information of the Compound
| Compound ID |
CP0081056
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-1-((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)-N-methylpyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23ClFN5O2
|
||||||||||||||||||
| Molecular Weight |
443.91
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)[C@H]1CCCN1Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23ClFN5O2/c1-25-22(30)18-7-4-8-29(18)11-13-9-14-17(10-19(13)31-2)26-12-27-21(14)28-16-6-3-5-15(23)20(16)24/h3,5-6,9-10,12,18H,4,7-8,11H2,1-2H3,(H,25,30)(H,26,27,28)/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QMGNNNRCEMYKNG-GOSISDBHSA-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