General Information of the Compound
| Compound ID |
CP0486207
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,3-dimethyl-1-[4-[2-methyl-4-[[6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenoxy]piperidin-1-yl]butan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H45N5O4
|
||||||||||||||||||
| Molecular Weight |
575.754
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(Nc2ncnc3ccc(OCCCN4CCOCC4)cc23)ccc1OC1CCN(CC1)C(=O)CC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H45N5O4/c1-24-20-25(6-9-30(24)42-26-10-13-38(14-11-26)31(39)22-33(2,3)4)36-32-28-21-27(7-8-29(28)34-23-35-32)41-17-5-12-37-15-18-40-19-16-37/h6-9,20-21,23,26H,5,10-19,22H2,1-4H3,(H,34,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NKYZLAFGFAJBIY-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