General Information of the Compound
| Compound ID |
CP0960075
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
rac-4-(3-Chloro-2-fluoroanilino)-7-methoxy-6-{[1-(N-methylcarbamoylmethyl)pyrrolidin-3-yl]oxy}quinazoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23ClFN5O3
|
||||||||||||||||||
| Molecular Weight |
459.909
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23ClFN5O3/c1-25-20(30)11-29-7-6-13(10-29)32-19-8-14-17(9-18(19)31-2)26-12-27-22(14)28-16-5-3-4-15(23)21(16)24/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,25,30)(H,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AWIBZULFCHWDKS-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