General Information of the Compound
| Compound ID |
CP0075493
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)(methyl)amino)-N-methylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23ClFN5O2
|
||||||||||||||||||
| Molecular Weight |
431.899
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23ClFN5O2/c1-12(21(29)24-2)28(3)10-13-8-14-17(9-18(13)30-4)25-11-26-20(14)27-16-7-5-6-15(22)19(16)23/h5-9,11-12H,10H2,1-4H3,(H,24,29)(H,25,26,27)/t12-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QWNVYGCSKJLQIT-GFCCVEGCSA-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